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

C17H15N3O — CID 121470607

IUPAC3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2cc(Cc3cnccc3C(N)=O)ccc2n1
InChIInChI=1S/C17H15N3O/c1-11-2-4-13-8-12(3-5-16(13)20-11)9-14-10-19-7-6-15(14)17(18)21/h2-8,10H,9H2,1H3,(H2,18,21)
InChIKeyRNCBSRJPYRZFCK-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.63
Rot. Bonds3

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

3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 121470607) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID121470607
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc2cc(Cc3cnccc3C(N)=O)ccc2n1
InChIInChI=1S/C17H15N3O/c1-11-2-4-13-8-12(3-5-16(13)20-11)9-14-10-19-7-6-15(14)17(18)21/h2-8,10H,9H2,1H3,(H2,18,21)
InChIKeyRNCBSRJPYRZFCK-UHFFFAOYSA-N
XLogP2.63
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 126505805
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774
3-(2-hydroxypropyl)pyridine-4-carboxamide
CID 174772458
(2-methylquinolin-6-yl)methanethiol
CID 105379811
trimethyl-[(2-methylquinolin-6-yl)methyl]silane
CID 134953516
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
ethyl 2-(aminomethyl)-3-(2-methylquinolin-6-yl)propanoate
CID 105379036
2-[methyl-[(2-methylquinolin-6-yl)methyl]amino]acetic acid
CID 105379644
2-methylquinoline-6-carbothioamide
CID 82574170
2-(aminomethyl)-N,N-dimethyl-3-(2-methylquinolin-6-yl)propanamide
CID 105379042
2-methyl-3-(2-methylquinolin-7-yl)pyridine-4-carboxamide
CID 121470684

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 121470607) is 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1ccc2cc(Cc3cnccc3C(N)=O)ccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RNCBSRJPYRZFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-2-4-13-8-12(3-5-16(13)20-11)9-14-10-19-7-6-15(14)17(18)21/h2-8,10H,9H2,1H3,(H2,18,21).
What are the key properties of 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide?
3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 121470607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).