1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide

C26H26ClN3O3 — CID 53119327

IUPAC1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C26H26ClN3O3/c27-23-12-6-5-10-21(23)24(31)29-19-13-15-20(16-14-19)30-17-7-11-22(26(30)33)25(32)28-18-8-3-1-2-4-9-18/h5-7,10-18H,1-4,8-9H2,(H,28,32)(H,29,31)
InChIKeyGZUAHUNVLPFOIC-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.20
Rot. Bonds5

About 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide

1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide (PubChem CID 53119327) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
PubChem CID53119327
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1)c1ccccc1Cl
InChIInChI=1S/C26H26ClN3O3/c27-23-12-6-5-10-21(23)24(31)29-19-13-15-20(16-14-19)30-17-7-11-22(26(30)33)25(32)28-18-8-3-1-2-4-9-18/h5-7,10-18H,1-4,8-9H2,(H,28,32)(H,29,31)
InChIKeyGZUAHUNVLPFOIC-UHFFFAOYSA-N
XLogP5.20
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cyclopentyl-2-oxopyridine-3-carboxamide
CID 53119333
1-(4-benzamidophenyl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 53119460
N-cyclohexyl-1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide
CID 53119458
1-(4-benzamidophenyl)-N-cyclopropyl-2-oxopyridine-3-carboxamide
CID 53119413
1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089028
2-chloro-N-cyclopentylbenzamide
CID 669043
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420
1-[4-[(4-fluorobenzoyl)amino]phenyl]-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
CID 53119378
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46384471
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
CID 2214995
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide (CID 53119327) is 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(-n2cccc(C(=O)NC3CCCCCC3)c2=O)cc1)c1ccccc1Cl.
What is the InChIKey of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide?
The InChIKey is GZUAHUNVLPFOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-23-12-6-5-10-21(23)24(31)29-19-13-15-20(16-14-19)30-17-7-11-22(26(30)33)25(32)28-18-8-3-1-2-4-9-18/h5-7,10-18H,1-4,8-9H2,(H,28,32)(H,29,31).
What are the key properties of 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide?
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-cycloheptyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 53119327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).