N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide

C18H17N5O2 — CID 167888632

IUPACN-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)n[nH]1
InChIInChI=1S/C18H17N5O2/c1-12-9-16(23-22-12)17(24)20-11-13-5-4-6-14(10-13)21-18(25)15-7-2-3-8-19-15/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyCOBBWNMTUDGBEC-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.30
Rot. Bonds5

About N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide

N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide (PubChem CID 167888632) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
PubChem CID167888632
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
SMILESCc1cc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)n[nH]1
InChIInChI=1S/C18H17N5O2/c1-12-9-16(23-22-12)17(24)20-11-13-5-4-6-14(10-13)21-18(25)15-7-2-3-8-19-15/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyCOBBWNMTUDGBEC-UHFFFAOYSA-N
XLogP2.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]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-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
CID 166190967
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 47067341
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484314
5-tert-butyl-N-[3-(ethylaminomethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 119438538
N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
5-methyl-1-[[3-(pyridine-2-carbonylamino)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122353
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 70933679

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide (CID 167888632) is N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide is Cc1cc(C(=O)NCc2cccc(NC(=O)c3ccccn3)c2)n[nH]1.
What is the InChIKey of N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
The InChIKey is COBBWNMTUDGBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-9-16(23-22-12)17(24)20-11-13-5-4-6-14(10-13)21-18(25)15-7-2-3-8-19-15/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide?
N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 167888632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).