benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C86H95N21O9 — CID 157081961

IUPACbenzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3cc(CC4CCNC4)ncn3)c[nH]c2=O)cc1.CNCCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ncn1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.O=C(Nc1cc(-c2cn[nH]c2)c[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C25H29N5O2.C23H28N6O2.C22H24N6O2.C16H14N4O3/c1-25(2,3)19-6-4-17(5-7-19)23(31)30-22-11-18(14-27-24(22)32)21-12-20(28-15-29-21)10-16-8-9-26-13-16;1-23(2,3)17-7-5-15(6-8-17)21(30)29-19-11-16(13-26-22(19)31)18-12-20(28-14-27-18)25-10-9-24-4;1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28;21-15-14(6-12(7-17-15)13-8-18-19-9-13)20-16(22)23-10-11-4-2-1-3-5-11/h4-7,11-12,14-16,26H,8-10,13H2,1-3H3,(H,27,32)(H,30,31);5-8,11-14,24H,9-10H2,1-4H3,(H,26,31)(H,29,30)(H,25,27,28);5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27);1-9H,10H2,(H,17,21)(H,18,19)(H,20,22)
InChIKeyADQOFYBSSZILNF-UHFFFAOYSA-N
MW1566.84 g/mol
LogP12.18
Rot. Bonds21

About benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 157081961) has the molecular formula C86H95N21O9 and a molecular weight of 1566.84 g/mol. Its IUPAC name is benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Namebenzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID157081961
Molecular FormulaC86H95N21O9
Molecular Weight1566.84 g/mol
Exact Mass1565.76
IUPAC Namebenzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3cc(CC4CCNC4)ncn3)c[nH]c2=O)cc1.CNCCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ncn1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.O=C(Nc1cc(-c2cn[nH]c2)c[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C25H29N5O2.C23H28N6O2.C22H24N6O2.C16H14N4O3/c1-25(2,3)19-6-4-17(5-7-19)23(31)30-22-11-18(14-27-24(22)32)21-12-20(28-15-29-21)10-16-8-9-26-13-16;1-23(2,3)17-7-5-15(6-8-17)21(30)29-19-11-16(13-26-22(19)31)18-12-20(28-14-27-18)25-10-9-24-4;1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28;21-15-14(6-12(7-17-15)13-8-18-19-9-13)20-16(22)23-10-11-4-2-1-3-5-11/h4-7,11-12,14-16,26H,8-10,13H2,1-3H3,(H,27,32)(H,30,31);5-8,11-14,24H,9-10H2,1-4H3,(H,26,31)(H,29,30)(H,25,27,28);5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27);1-9H,10H2,(H,17,21)(H,18,19)(H,20,22)
InChIKeyADQOFYBSSZILNF-UHFFFAOYSA-N
XLogP12.18
TPSA414.45 Ų
H-Bond Donors13
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001566.84
LogP ≤ 512.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide with MolForge

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Related Compounds

methyl 5-[5-[[(3R)-3-ethyl-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperidin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazol-3-yl]-2-fluorobenzoate
CID 71046993
ethyl 3-(4-pyrazin-2-ylpiperazin-1-yl)-4-(pyridine-3-carbonylamino)benzoate;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1H-pyrazole-4-carboxamide;N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]-2-prop-1-en-2-ylpyridine-3-carboxamide;N-[2-(4-pyrazin-2-ylpiperazin-1-yl)-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 160276967
benzyl N-[[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-prop-2-enylindazol-1-yl]acetyl]-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-(2,2-dimethylhex-5-enyl)carbamate
CID 162768715
Benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate
CID 167680329
[5-(pyrazol-1-ylmethyl)-2-(2,3,4-trimethylphenyl)phenyl]methyl N-[2-[4-[2-(diethylamino)ethyl-methylcarbamoyl]anilino]pyrimidin-4-yl]carbamate
CID 90959192
[4-[[5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[4-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]carbamate
CID 139569294
N,N-dimethyl-4-[[8-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;ethane;methyl 4-[[8-[4-(piperidine-1-carbonyl)phenyl]-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
CID 143929544
methyl 4-[[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[2-[4-[[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]carbamoylamino]phenyl]ethyl]pyrimidin-2-yl]amino]phenyl]carbamoylamino]benzoate
CID 145016272
benzyl 4-[[3-[[(3R,4S)-3-[[6-carbamoyl-5-[(1-phenylmethoxycarbonylpyrazol-4-yl)amino]-1,2,4-triazin-3-yl]-methylamino]-4-methyl-5-(prop-2-enoylamino)cyclohexyl]carbamoyl]-6-[methyl-[(1R,2S)-2-methyl-3-(prop-2-enoylamino)cyclohexyl]amino]pyrazin-2-yl]methyl]pyrazole-1-carboxylate
CID 156146146
[4-[[(2S)-5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[4-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]carbamate
CID 156414080
Benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[4-[6-[[6-[2-(oxan-2-yl)pyrazol-3-yl]pyridine-2-carbonyl]amino]-3-pyridinyl]triazol-1-yl]piperidine-1-carboxylate
CID 156867592
4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoic acid;8-amino-4,4-dimethyl-N-[4-[2-(1-methylpiperidin-4-yl)acetyl]phenyl]-2,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide;diiodovanadium;ethane;ethyl 4-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]benzoate;1-methylpiperidin-4-amine
CID 157202108

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 157081961) is benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3cc(CC4CCNC4)ncn3)c[nH]c2=O)cc1.CNCCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ncn1.CNc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.O=C(Nc1cc(-c2cn[nH]c2)c[nH]c1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is ADQOFYBSSZILNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C23H28N6O2.C22H24N6O2.C16H14N4O3/c1-25(2,3)19-6-4-17(5-7-19)23(31)30-22-11-18(14-27-24(22)32)21-12-20(28-15-29-21)10-16-8-9-26-13-16;1-23(2,3)17-7-5-15(6-8-17)21(30)29-19-11-16(13-26-22(19)31)18-12-20(28-14-27-18)25-10-9-24-4;1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28;21-15-14(6-12(7-17-15)13-8-18-19-9-13)20-16(22)23-10-11-4-2-1-3-5-11/h4-7,11-12,14-16,26H,8-10,13H2,1-3H3,(H,27,32)(H,30,31);5-8,11-14,24H,9-10H2,1-4H3,(H,26,31)(H,29,30)(H,25,27,28);5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27);1-9H,10H2,(H,17,21)(H,18,19)(H,20,22).
What are the key properties of benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 1566.84 g/mol, XLogP of 12.18, 21 rotatable bonds, 13 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-5-(1H-pyrazol-4-yl)-1H-pyridin-3-yl]carbamate;4-tert-butyl-N-[5-[6-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide;4-tert-butyl-N-[2-oxo-5-[6-(pyrrolidin-3-ylmethyl)pyrimidin-4-yl]-1H-pyridin-3-yl]benzamide;N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 157081961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).