6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide

C18H14N4O — CID 121470590

IUPAC6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide
SMILESCc1cnc2ccc(-c3nc(C#N)cc(C(N)=O)c3C)cc2c1
InChIInChI=1S/C18H14N4O/c1-10-5-13-6-12(3-4-16(13)21-9-10)17-11(2)15(18(20)23)7-14(8-19)22-17/h3-7,9H,1-2H3,(H2,20,23)
InChIKeySOIISMRFOKUEMK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.88
Rot. Bonds2

About 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide

6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide (PubChem CID 121470590) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide
PubChem CID121470590
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide
SMILESCc1cnc2ccc(-c3nc(C#N)cc(C(N)=O)c3C)cc2c1
InChIInChI=1S/C18H14N4O/c1-10-5-13-6-12(3-4-16(13)21-9-10)17-11(2)15(18(20)23)7-14(8-19)22-17/h3-7,9H,1-2H3,(H2,20,23)
InChIKeySOIISMRFOKUEMK-UHFFFAOYSA-N
XLogP2.88
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-propan-2-ylquinolin-6-yl)pyridine-4-carboxamide
CID 126509772
2-cyano-5-methoxypyridine-4-carboxamide
CID 13238726
methyl 3-methyl-2-(3-methylquinolin-6-yl)butanoate
CID 116997841
4-(4-cyanophenyl)-5-methylpyrimidine-2-carboxamide
CID 156843133
methyl 2-(3-methylquinolin-6-yl)oxy-2-methylsulfanylacetate
CID 89432936
(3-methylquinolin-6-yl)hydrazine
CID 116997851
2-(3-methylquinolin-6-yl)butanenitrile
CID 116997842
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
6-[[[5-fluoro-6-(3-methylquinolin-6-yl)pyrimidin-4-yl]amino]methyl]naphthalene-2-carbonitrile
CID 146200077
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carboxamide
CID 20509467
5-cyano-3-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 71540501
3-(4-cyanophenyl)quinoxaline-5-carboxamide
CID 25218518

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide?
The IUPAC name of 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide (CID 121470590) is 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide is Cc1cnc2ccc(-c3nc(C#N)cc(C(N)=O)c3C)cc2c1.
What is the InChIKey of 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide?
The InChIKey is SOIISMRFOKUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-10-5-13-6-12(3-4-16(13)21-9-10)17-11(2)15(18(20)23)7-14(8-19)22-17/h3-7,9H,1-2H3,(H2,20,23).
What are the key properties of 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide?
6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-methyl-2-(3-methylquinolin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 121470590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).