N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide

C18H17N3O2 — CID 84510401

IUPACN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc2cc(CNC(=O)c3ccncc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H17N3O2/c1-11-7-14-9-15(18(23)21-16(14)8-12(11)2)10-20-17(22)13-3-5-19-6-4-13/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRJSHSDMIMYSMCJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.47
Rot. Bonds3

About N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide

N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 84510401) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID84510401
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc2cc(CNC(=O)c3ccncc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C18H17N3O2/c1-11-7-14-9-15(18(23)21-16(14)8-12(11)2)10-20-17(22)13-3-5-19-6-4-13/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRJSHSDMIMYSMCJ-UHFFFAOYSA-N
XLogP2.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326347
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110608950
(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbut-2-enamide
CID 110616737
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
2-cyclopropyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608956
(E)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)but-2-enamide
CID 110616738
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787166

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (CID 84510401) is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is Cc1cc2cc(CNC(=O)c3ccncc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is RJSHSDMIMYSMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-7-14-9-15(18(23)21-16(14)8-12(11)2)10-20-17(22)13-3-5-19-6-4-13/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 84510401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).