N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide

C17H15N3O — CID 39948382

IUPACN-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C17H15N3O/c1-20(12-13-5-3-9-18-11-13)17(21)15-8-2-6-14-7-4-10-19-16(14)15/h2-11H,12H2,1H3
InChIKeySRZCMVYSPQASCM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.90
Rot. Bonds3

About N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide

N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide (PubChem CID 39948382) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
PubChem CID39948382
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1cccc2cccnc12
InChIInChI=1S/C17H15N3O/c1-20(12-13-5-3-9-18-11-13)17(21)15-8-2-6-14-7-4-10-19-16(14)15/h2-11H,12H2,1H3
InChIKeySRZCMVYSPQASCM-UHFFFAOYSA-N
XLogP2.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
5-amino-N,2-dimethyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 54916915
N-methyl-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62239472
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide (CID 39948382) is N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide is CN(Cc1cccnc1)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide?
The InChIKey is SRZCMVYSPQASCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20(12-13-5-3-9-18-11-13)17(21)15-8-2-6-14-7-4-10-19-16(14)15/h2-11H,12H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide?
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide is sourced from PubChem (CID 39948382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).