4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C24H20ClN5O2 — CID 91668195

IUPAC4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccnc(C(=O)NCc3cccc(-n4cccn4)c3)c2)ccc1Cl
InChIInChI=1S/C24H20ClN5O2/c1-26-23(31)20-13-17(6-7-21(20)25)18-8-10-27-22(14-18)24(32)28-15-16-4-2-5-19(12-16)30-11-3-9-29-30/h2-14H,15H2,1H3,(H,26,31)(H,28,32)
InChIKeyJLPIMQVLIVDWEA-UHFFFAOYSA-N
MW445.91 g/mol
LogP3.88
Rot. Bonds6

About 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 91668195) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID91668195
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccnc(C(=O)NCc3cccc(-n4cccn4)c3)c2)ccc1Cl
InChIInChI=1S/C24H20ClN5O2/c1-26-23(31)20-13-17(6-7-21(20)25)18-8-10-27-22(14-18)24(32)28-15-16-4-2-5-19(12-16)30-11-3-9-29-30/h2-14H,15H2,1H3,(H,26,31)(H,28,32)
InChIKeyJLPIMQVLIVDWEA-UHFFFAOYSA-N
XLogP3.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
5H-1-benzazepin-5-ylidene acetamide, 1a
CID 9959174
5H-1-benzazepin-5-ylidene acetamide, 1e
CID 44520855
3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-methylpyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 24798011
3-[3-[5-[(3,5-Dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]benzamide
CID 46238606
3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 67548508
5H-1-benzazepin-5-ylidene acetamide, 1b
CID 10119966
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 16324174
5H-1-benzazepin-5-ylidene acetamide, 1c
CID 44520853
5H-1-benzazepin-5-ylidene acetamide, 1j
CID 44520860
5H-1-benzazepin-5-ylidene acetamide, 10b
CID 44520872

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 91668195) is 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is CNC(=O)c1cc(-c2ccnc(C(=O)NCc3cccc(-n4cccn4)c3)c2)ccc1Cl.
What is the InChIKey of 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is JLPIMQVLIVDWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-26-23(31)20-13-17(6-7-21(20)25)18-8-10-27-22(14-18)24(32)28-15-16-4-2-5-19(12-16)30-11-3-9-29-30/h2-14H,15H2,1H3,(H,26,31)(H,28,32).
What are the key properties of 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(methylcarbamoyl)phenyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91668195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).