N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide

C24H20ClN5O2 — CID 170346149

IUPACN-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3ccccc3Cl)n(C)n2)cc1
InChIInChI=1S/C24H20ClN5O2/c1-15-18(7-5-13-26-15)23(31)27-17-11-9-16(10-12-17)21-14-22(30(2)29-21)28-24(32)19-6-3-4-8-20(19)25/h3-14H,1-2H3,(H,27,31)(H,28,32)
InChIKeySJOBXPLGDLNJIV-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide

N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 170346149) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
PubChem CID170346149
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC NameN-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3ccccc3Cl)n(C)n2)cc1
InChIInChI=1S/C24H20ClN5O2/c1-15-18(7-5-13-26-15)23(31)27-17-11-9-16(10-12-17)21-14-22(30(2)29-21)28-24(32)19-6-3-4-8-20(19)25/h3-14H,1-2H3,(H,27,31)(H,28,32)
InChIKeySJOBXPLGDLNJIV-UHFFFAOYSA-N
XLogP4.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-6-(trifluoromethyl)-2,3-dihydropyridine-5-carboxamide
CID 170596382
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
tert-butyl N-[2-[[2-[[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamoyl]phenyl]methoxy]ethyl]carbamate
CID 170596530
N-[3-(4-tert-butylphenyl)-1-methylpyrazol-5-yl]-6-chloroquinoline-7-carboxamide
CID 164806003
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
N-[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170413097
2-chloro-N-[4-[5-(2-cycloheptyl-2-oxoethyl)-1-methylpyrazol-3-yl]phenyl]benzamide
CID 176857954
N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 170346233
2-chloro-N-[4-(4-phenyl-2-pyridinyl)phenyl]benzamide
CID 53484000

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide (CID 170346149) is N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3ccccc3Cl)n(C)n2)cc1.
What is the InChIKey of N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is SJOBXPLGDLNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-15-18(7-5-13-26-15)23(31)27-17-11-9-16(10-12-17)21-14-22(30(2)29-21)28-24(32)19-6-3-4-8-20(19)25/h3-14H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide?
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 170346149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).