N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide

C24H21N3O2 — CID 3796876

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccnc2)c1
InChIInChI=1S/C24H21N3O2/c1-16-5-3-7-21(11-16)27(24(29)19-6-4-10-25-14-19)15-20-13-18-9-8-17(2)12-22(18)26-23(20)28/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyQCAWYCSBQWDLJB-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.39
Rot. Bonds4

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 3796876) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID3796876
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccnc2)c1
InChIInChI=1S/C24H21N3O2/c1-16-5-3-7-21(11-16)27(24(29)19-6-4-10-25-14-19)15-20-13-18-9-8-17(2)12-22(18)26-23(20)28/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyQCAWYCSBQWDLJB-UHFFFAOYSA-N
XLogP4.39
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide (CID 3796876) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccnc2)c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is QCAWYCSBQWDLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-5-3-7-21(11-16)27(24(29)19-6-4-10-25-14-19)15-20-13-18-9-8-17(2)12-22(18)26-23(20)28/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3796876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).