N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C24H21ClN4O3 — CID 166213729

IUPACN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C24H21ClN4O3/c25-16-10-12-17(13-11-16)26-22(30)18-6-1-2-7-19(18)28-23(31)20-8-5-9-21(27-20)24(32)29-14-3-4-15-29/h1-2,5-13H,3-4,14-15H2,(H,26,30)(H,28,31)
InChIKeyPIEBRGIOYLHYEZ-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.48
Rot. Bonds5

About N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 166213729) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID166213729
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC NameN-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C24H21ClN4O3/c25-16-10-12-17(13-11-16)26-22(30)18-6-1-2-7-19(18)28-23(31)20-8-5-9-21(27-20)24(32)29-14-3-4-15-29/h1-2,5-13H,3-4,14-15H2,(H,26,30)(H,28,31)
InChIKeyPIEBRGIOYLHYEZ-UHFFFAOYSA-N
XLogP4.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
N-(5-chloro-2-methylphenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094861
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
N-(4-chlorophenyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728023
6-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109099901
6-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109099941
N-(2,6-dichlorophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095252
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 166213729) is N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is PIEBRGIOYLHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-16-10-12-17(13-11-16)26-22(30)18-6-1-2-7-19(18)28-23(31)20-8-5-9-21(27-20)24(32)29-14-3-4-15-29/h1-2,5-13H,3-4,14-15H2,(H,26,30)(H,28,31).
What are the key properties of N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 166213729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).