1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C25H25N3O4 — CID 95089029

IUPAC1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC[C@@H]4CCCO4)c3=O)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17-6-8-18(9-7-17)23(29)27-19-10-12-20(13-11-19)28-14-2-5-22(25(28)31)24(30)26-16-21-4-3-15-32-21/h2,5-14,21H,3-4,15-16H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyDFPFPZKTOCBBMX-NRFANRHFSA-N
MW431.49 g/mol
LogP3.31
Rot. Bonds6

About 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95089029) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95089029
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC[C@@H]4CCCO4)c3=O)cc2)cc1
InChIInChI=1S/C25H25N3O4/c1-17-6-8-18(9-7-17)23(29)27-19-10-12-20(13-11-19)28-14-2-5-22(25(28)31)24(30)26-16-21-4-3-15-32-21/h2,5-14,21H,3-4,15-16H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1
InChIKeyDFPFPZKTOCBBMX-NRFANRHFSA-N
XLogP3.31
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089028
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
1-(4-benzamidophenyl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 53119460

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95089029) is 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3cccc(C(=O)NC[C@@H]4CCCO4)c3=O)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DFPFPZKTOCBBMX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-6-8-18(9-7-17)23(29)27-19-10-12-20(13-11-19)28-14-2-5-22(25(28)31)24(30)26-16-21-4-3-15-32-21/h2,5-14,21H,3-4,15-16H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1.
What are the key properties of 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95089029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).