N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C24H27N3O2 — CID 55793926

IUPACN-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NCC(Nc3ccccc3)C(C)C)c(=O)[nH]2)c1
InChIInChI=1S/C24H27N3O2/c1-16(2)22(26-19-10-5-4-6-11-19)15-25-23(28)20-12-13-21(27-24(20)29)18-9-7-8-17(3)14-18/h4-14,16,22,26H,15H2,1-3H3,(H,25,28)(H,27,29)
InChIKeyPVPCVSHMQVEQLK-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.22
Rot. Bonds7

About N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 55793926) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID55793926
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NCC(Nc3ccccc3)C(C)C)c(=O)[nH]2)c1
InChIInChI=1S/C24H27N3O2/c1-16(2)22(26-19-10-5-4-6-11-19)15-25-23(28)20-12-13-21(27-24(20)29)18-9-7-8-17(3)14-18/h4-14,16,22,26H,15H2,1-3H3,(H,25,28)(H,27,29)
InChIKeyPVPCVSHMQVEQLK-UHFFFAOYSA-N
XLogP4.22
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N-[1-(2-chlorophenyl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757705
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 72873095
N-[1-(1-benzofuran-2-yl)ethyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55757137
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-[4-(methanesulfonamido)phenyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55791169
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97149555
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
CID 55850238
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71685809
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-(2-anilino-3-methylbutyl)-5-cyclopropyl-1H-pyrazole-4-carboxamide
CID 167819842

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 55793926) is N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)NCC(Nc3ccccc3)C(C)C)c(=O)[nH]2)c1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PVPCVSHMQVEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16(2)22(26-19-10-5-4-6-11-19)15-25-23(28)20-12-13-21(27-24(20)29)18-9-7-8-17(3)14-18/h4-14,16,22,26H,15H2,1-3H3,(H,25,28)(H,27,29).
What are the key properties of N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55793926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).