5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine

C67H85N13O12 — CID 157400309

IUPAC5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine
SMILESCC(=O)c1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1.CC(=O)c1ccc(C(=O)N(C)C)nc1.CC(C)(C)N1CCOCC1.CN(C)C(=O)c1ccc(C(=O)O)cn1.CN(C)C(C)(C)C.COC(=O)c1ccc(C(=O)OC)nc1
InChIInChI=1S/C25H22N6O2.C10H12N2O2.C9H10N2O3.C9H9NO4.C8H17NO.C6H15N/c1-16(32)21-11-10-19(15-28-21)22-12-13-27-25(31-22)29-14-17-6-8-18(9-7-17)24(33)30-23-5-3-2-4-20(23)26;1-7(13)8-4-5-9(11-6-8)10(14)12(2)3;1-11(2)8(12)7-4-3-6(5-10-7)9(13)14;1-13-8(11)6-3-4-7(10-5-6)9(12)14-2;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)7(4)5/h2-13,15H,14,26H2,1H3,(H,30,33)(H,27,29,31);4-6H,1-3H3;3-5H,1-2H3,(H,13,14);3-5H,1-2H3;4-7H2,1-3H3;1-5H3
InChIKeyBNBOXLHKWGVUIM-UHFFFAOYSA-N
MW1264.50 g/mol
LogP8.77
Rot. Bonds13

About 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine

5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine (PubChem CID 157400309) has the molecular formula C67H85N13O12 and a molecular weight of 1264.50 g/mol. Its IUPAC name is 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine
PubChem CID157400309
Molecular FormulaC67H85N13O12
Molecular Weight1264.50 g/mol
Exact Mass1263.64
IUPAC Name5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine
SMILESCC(=O)c1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1.CC(=O)c1ccc(C(=O)N(C)C)nc1.CC(C)(C)N1CCOCC1.CN(C)C(=O)c1ccc(C(=O)O)cn1.CN(C)C(C)(C)C.COC(=O)c1ccc(C(=O)OC)nc1
InChIInChI=1S/C25H22N6O2.C10H12N2O2.C9H10N2O3.C9H9NO4.C8H17NO.C6H15N/c1-16(32)21-11-10-19(15-28-21)22-12-13-27-25(31-22)29-14-17-6-8-18(9-7-17)24(33)30-23-5-3-2-4-20(23)26;1-7(13)8-4-5-9(11-6-8)10(14)12(2)3;1-11(2)8(12)7-4-3-6(5-10-7)9(13)14;1-13-8(11)6-3-4-7(10-5-6)9(12)14-2;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)7(4)5/h2-13,15H,14,26H2,1H3,(H,30,33)(H,27,29,31);4-6H,1-3H3;3-5H,1-2H3,(H,13,14);3-5H,1-2H3;4-7H2,1-3H3;1-5H3
InChIKeyBNBOXLHKWGVUIM-UHFFFAOYSA-N
XLogP8.77
TPSA324.86 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001264.50
LogP ≤ 58.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine with MolForge

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Related Compounds

5-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 67128133
[2-[2-[4-[6-[(E)-1,2-difluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]ethenyl]pyridine-3-carbonyl]oxy-2,6,6-trimethylpiperidin-2-yl]ethyl]-2,6,6-trimethylpiperidin-4-yl] 5-[4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylphenyl]pyrimidine-2-carboxylate
CID 132094142
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
1-cyclopropyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propyl-2,3-dihydropyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160946623
5-[[2-[2-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 66836335
4-[4-[4-[(6-Methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836650
Tert-butyl 4-[4-[4-[(6-methoxycarbonylpyridine-3-carbonyl)amino]-6-(pyrazin-2-ylamino)-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 67128151
2-[[6-[4-(3-Amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carbonyl]amino]ethyl 6-[4-(3-amino-2-pyridinyl)piperazine-1-carbonyl]pyridine-3-carboxylate
CID 67600888
[4-(4-acetyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N-(pyridin-4-ylcarbamoyl)anilino]methyl 4-[[4-[4-(2-methoxyethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzoate
CID 90798893
5-[4-[1-Hydroxy-1-[5-[5-(3-methoxypropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-2-pyridinyl]ethoxy]butylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 123698609
N-(2-aminophenyl)-4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide;pyridin-3-ylmethyl N-[[4-[2-(2-methylphenyl)acetyl]phenyl]methyl]carbamate
CID 123743209
[3-[[3-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]pyridine-4-carbonyl]amino]-2-hydroxypropyl] 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboximidate
CID 123967413

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine?
The IUPAC name of 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine (CID 157400309) is 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine is CC(=O)c1ccc(-c2ccnc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cn1.CC(=O)c1ccc(C(=O)N(C)C)nc1.CC(C)(C)N1CCOCC1.CN(C)C(=O)c1ccc(C(=O)O)cn1.CN(C)C(C)(C)C.COC(=O)c1ccc(C(=O)OC)nc1.
What is the InChIKey of 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine?
The InChIKey is BNBOXLHKWGVUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2.C10H12N2O2.C9H10N2O3.C9H9NO4.C8H17NO.C6H15N/c1-16(32)21-11-10-19(15-28-21)22-12-13-27-25(31-22)29-14-17-6-8-18(9-7-17)24(33)30-23-5-3-2-4-20(23)26;1-7(13)8-4-5-9(11-6-8)10(14)12(2)3;1-11(2)8(12)7-4-3-6(5-10-7)9(13)14;1-13-8(11)6-3-4-7(10-5-6)9(12)14-2;1-8(2,3)9-4-6-10-7-5-9;1-6(2,3)7(4)5/h2-13,15H,14,26H2,1H3,(H,30,33)(H,27,29,31);4-6H,1-3H3;3-5H,1-2H3,(H,13,14);3-5H,1-2H3;4-7H2,1-3H3;1-5H3.
What are the key properties of 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine?
5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine has a molecular weight of 1264.50 g/mol, XLogP of 8.77, 13 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,N-dimethylpyridine-2-carboxamide;4-[[[4-(6-acetyl-3-pyridinyl)pyrimidin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide;4-tert-butylmorpholine;6-(dimethylcarbamoyl)pyridine-3-carboxylic acid;dimethyl pyridine-2,5-dicarboxylate;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 157400309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).