1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide

C23H24N8O3 — CID 24936429

IUPAC1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)N(C)C)nn1
InChIInChI=1S/C23H24N8O3/c1-15-21(31-14-20(27-28-31)23(33)29(2)3)11-18(13-25-15)26-22(32)17-8-16(12-24)9-19(10-17)30-4-6-34-7-5-30/h8-11,13-14H,4-7H2,1-3H3,(H,26,32)
InChIKeyJUTGMBPAPQLWIH-UHFFFAOYSA-N
MW460.50 g/mol
LogP1.63
Rot. Bonds5

About 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide

1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide (PubChem CID 24936429) has the molecular formula C23H24N8O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide
PubChem CID24936429
Molecular FormulaC23H24N8O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)N(C)C)nn1
InChIInChI=1S/C23H24N8O3/c1-15-21(31-14-20(27-28-31)23(33)29(2)3)11-18(13-25-15)26-22(32)17-8-16(12-24)9-19(10-17)30-4-6-34-7-5-30/h8-11,13-14H,4-7H2,1-3H3,(H,26,32)
InChIKeyJUTGMBPAPQLWIH-UHFFFAOYSA-N
XLogP1.63
TPSA129.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
3-tert-butyl-5-cyano-N-[6-methyl-5-[4-(4-methylpiperazine-1-carbonyl)triazol-1-yl]-3-pyridinyl]benzamide
CID 69187596
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
CID 69187079
1-[5-[(3-tert-butyl-5-cyanobenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]triazole-4-carboxamide
CID 90843514
3-cyano-N-[5-[4-(2,2-dimethylpropylsulfamoyl)phenyl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 69186747
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186906
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 91567682
1-[5-(3-fluoro-2-methoxy-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186900
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methyl-5-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]pyridine-3-carboxamide
CID 45256459
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-[5-(3-tert-butyl-5-cyanoanilino)-2-methyl-3-pyridinyl]triazole-4-carboxamide
CID 69188476
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide?
The IUPAC name of 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide (CID 24936429) is 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide.
What is the SMILES notation for 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide?
The canonical SMILES for 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide is Cc1ncc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)N(C)C)nn1.
What is the InChIKey of 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide?
The InChIKey is JUTGMBPAPQLWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3/c1-15-21(31-14-20(27-28-31)23(33)29(2)3)11-18(13-25-15)26-22(32)17-8-16(12-24)9-19(10-17)30-4-6-34-7-5-30/h8-11,13-14H,4-7H2,1-3H3,(H,26,32).
What are the key properties of 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide?
1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 24936429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).