4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

C115H114N24O11 — CID 159037481

IUPAC4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESCCc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)ncn1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)/C=C/c3ccccc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(NCCCCCN)cc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1
InChIInChI=1S/C25H22N4O3.C25H22N4O2.C23H28N6O2.C22H24N6O2.C20H18N4O2/c1-2-23-26-13-12-21(28-23)19-14-22(25(31)27-15-19)29-24(30)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17;1-2-23-26-13-12-21(28-23)20-15-22(25(31)27-16-20)29-24(30)19-10-8-18(9-11-19)14-17-6-4-3-5-7-17;1-2-21-26-13-10-19(28-21)17-14-20(23(31)27-15-17)29-22(30)16-6-8-18(9-7-16)25-12-5-3-4-11-24;1-2-17-12-19(26-14-25-17)16-11-20(22(30)24-13-16)27-21(29)15-3-5-18(6-4-15)28-9-7-23-8-10-28;1-2-18-21-11-10-16(23-18)15-12-17(20(26)22-13-15)24-19(25)9-8-14-6-4-3-5-7-14/h3-15H,2,16H2,1H3,(H,27,31)(H,29,30);3-13,15-16H,2,14H2,1H3,(H,27,31)(H,29,30);6-10,13-15,25H,2-5,11-12,24H2,1H3,(H,27,31)(H,29,30);3-6,11-14,23H,2,7-10H2,1H3,(H,24,30)(H,27,29);3-13H,2H2,1H3,(H,22,26)(H,24,25)/b;;;;9-8+
InChIKeyJVQCPRZPVKQSEU-DDGXGJGRSA-N
MW2008.33 g/mol
LogP16.75
Rot. Bonds33

About 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide

4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (PubChem CID 159037481) has the molecular formula C115H114N24O11 and a molecular weight of 2008.33 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
PubChem CID159037481
Molecular FormulaC115H114N24O11
Molecular Weight2008.33 g/mol
Exact Mass2006.91
IUPAC Name4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
SMILESCCc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)ncn1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)/C=C/c3ccccc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(NCCCCCN)cc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1
InChIInChI=1S/C25H22N4O3.C25H22N4O2.C23H28N6O2.C22H24N6O2.C20H18N4O2/c1-2-23-26-13-12-21(28-23)19-14-22(25(31)27-15-19)29-24(30)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17;1-2-23-26-13-12-21(28-23)20-15-22(25(31)27-16-20)29-24(30)19-10-8-18(9-11-19)14-17-6-4-3-5-7-17;1-2-21-26-13-10-19(28-21)17-14-20(23(31)27-15-17)29-22(30)16-6-8-18(9-7-16)25-12-5-3-4-11-24;1-2-17-12-19(26-14-25-17)16-11-20(22(30)24-13-16)27-21(29)15-3-5-18(6-4-15)28-9-7-23-8-10-28;1-2-18-21-11-10-16(23-18)15-12-17(20(26)22-13-15)24-19(25)9-8-14-6-4-3-5-7-14/h3-15H,2,16H2,1H3,(H,27,31)(H,29,30);3-13,15-16H,2,14H2,1H3,(H,27,31)(H,29,30);6-10,13-15,25H,2-5,11-12,24H2,1H3,(H,27,31)(H,29,30);3-6,11-14,23H,2,7-10H2,1H3,(H,24,30)(H,27,29);3-13H,2H2,1H3,(H,22,26)(H,24,25)/b;;;;9-8+
InChIKeyJVQCPRZPVKQSEU-DDGXGJGRSA-N
XLogP16.75
TPSA501.25 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002008.33
LogP ≤ 516.75
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide with MolForge

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Related Compounds

N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
CID 148543420
N-[5-(6-ethyl-4-isocyano-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158110780
N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
CID 159039079
N-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261390
N-[5-(2-amino-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 90261253
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
4-(3-aminopropylamino)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
CID 58692567
4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11718719
N-[5-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrazin-2-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 58692578
N-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The IUPAC name of 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide (CID 159037481) is 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is CCc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCNCC4)cc3)c2)ncn1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)/C=C/c3ccccc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(Cc4ccccc4)cc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(NCCCCCN)cc3)c2)n1.CCc1nccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)n1.
What is the InChIKey of 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
The InChIKey is JVQCPRZPVKQSEU-DDGXGJGRSA-N. The full InChI is InChI=1S/C25H22N4O3.C25H22N4O2.C23H28N6O2.C22H24N6O2.C20H18N4O2/c1-2-23-26-13-12-21(28-23)19-14-22(25(31)27-15-19)29-24(30)18-8-10-20(11-9-18)32-16-17-6-4-3-5-7-17;1-2-23-26-13-12-21(28-23)20-15-22(25(31)27-16-20)29-24(30)19-10-8-18(9-11-19)14-17-6-4-3-5-7-17;1-2-21-26-13-10-19(28-21)17-14-20(23(31)27-15-17)29-22(30)16-6-8-18(9-7-16)25-12-5-3-4-11-24;1-2-17-12-19(26-14-25-17)16-11-20(22(30)24-13-16)27-21(29)15-3-5-18(6-4-15)28-9-7-23-8-10-28;1-2-18-21-11-10-16(23-18)15-12-17(20(26)22-13-15)24-19(25)9-8-14-6-4-3-5-7-14/h3-15H,2,16H2,1H3,(H,27,31)(H,29,30);3-13,15-16H,2,14H2,1H3,(H,27,31)(H,29,30);6-10,13-15,25H,2-5,11-12,24H2,1H3,(H,27,31)(H,29,30);3-6,11-14,23H,2,7-10H2,1H3,(H,24,30)(H,27,29);3-13H,2H2,1H3,(H,22,26)(H,24,25)/b;;;;9-8+.
What are the key properties of 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide?
4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide has a molecular weight of 2008.33 g/mol, XLogP of 16.75, 33 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;4-benzyl-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]benzamide;N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide;(E)-N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-3-phenylprop-2-enamide;N-[5-(6-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 159037481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).