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

C25H23N3O2 — CID 1422070

IUPACN-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1
InChIInChI=1S/C25H23N3O2/c1-16-5-7-23(18(3)12-16)28(25(30)19-8-10-26-11-9-19)15-21-14-20-13-17(2)4-6-22(20)27-24(21)29/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyJXWRAANMBNHLLD-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.70
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 1422070) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID1422070
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1
InChIInChI=1S/C25H23N3O2/c1-16-5-7-23(18(3)12-16)28(25(30)19-8-10-26-11-9-19)15-21-14-20-13-17(2)4-6-22(20)27-24(21)29/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyJXWRAANMBNHLLD-UHFFFAOYSA-N
XLogP4.70
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (CID 1422070) is N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is JXWRAANMBNHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-5-7-23(18(3)12-16)28(25(30)19-8-10-26-11-9-19)15-21-14-20-13-17(2)4-6-22(20)27-24(21)29/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?
N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 1422070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).