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

C24H22ClN3O4 — CID 95089028

IUPAC1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccc(C(=O)NC[C@H]3CCCO3)c2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C24H22ClN3O4/c25-21-8-2-1-6-19(21)23(30)27-16-9-11-17(12-10-16)28-13-3-7-20(24(28)31)22(29)26-15-18-5-4-14-32-18/h1-3,6-13,18H,4-5,14-15H2,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyOVANOUYMGDXDHV-GOSISDBHSA-N
MW451.91 g/mol
LogP3.65
Rot. Bonds6

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

1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95089028) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95089028
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccc(C(=O)NC[C@H]3CCCO3)c2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C24H22ClN3O4/c25-21-8-2-1-6-19(21)23(30)27-16-9-11-17(12-10-16)28-13-3-7-20(24(28)31)22(29)26-15-18-5-4-14-32-18/h1-3,6-13,18H,4-5,14-15H2,(H,26,29)(H,27,30)/t18-/m1/s1
InChIKeyOVANOUYMGDXDHV-GOSISDBHSA-N
XLogP3.65
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089029
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
2-[(2-chlorobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935508
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
2-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 2967010
N-[3-(oxolan-2-ylmethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 3994766
5-[(2,4-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5109469
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
1-[(2-chlorobenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 47102501
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 137406946

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95089028) is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2cccc(C(=O)NC[C@H]3CCCO3)c2=O)cc1)c1ccccc1Cl.
What is the InChIKey of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OVANOUYMGDXDHV-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c25-21-8-2-1-6-19(21)23(30)27-16-9-11-17(12-10-16)28-13-3-7-20(24(28)31)22(29)26-15-18-5-4-14-32-18/h1-3,6-13,18H,4-5,14-15H2,(H,26,29)(H,27,30)/t18-/m1/s1.
What are the key properties of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95089028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).