N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide

C25H25N3O3 — CID 59234662

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(=O)n(-c2c(C)cccc2C)c1
InChIInChI=1S/C25H25N3O3/c1-15-7-8-18(24(30)26-20-10-11-20)13-21(15)27-25(31)19-9-12-22(29)28(14-19)23-16(2)5-4-6-17(23)3/h4-9,12-14,20H,10-11H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyNJKJHTKIGDOULN-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.91
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 59234662) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID59234662
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(=O)n(-c2c(C)cccc2C)c1
InChIInChI=1S/C25H25N3O3/c1-15-7-8-18(24(30)26-20-10-11-20)13-21(15)27-25(31)19-9-12-22(29)28(14-19)23-16(2)5-4-6-17(23)3/h4-9,12-14,20H,10-11H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyNJKJHTKIGDOULN-UHFFFAOYSA-N
XLogP3.91
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
CID 58328258
ethyl 6-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]indole-1-carboxylate
CID 58328161

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide (CID 59234662) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(=O)n(-c2c(C)cccc2C)c1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is NJKJHTKIGDOULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-15-7-8-18(24(30)26-20-10-11-20)13-21(15)27-25(31)19-9-12-22(29)28(14-19)23-16(2)5-4-6-17(23)3/h4-9,12-14,20H,10-11H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 59234662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).