5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid

C18H15N5O4 — CID 160958722

IUPAC5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)Cc2[nH]nc(-c3ccncc3)c2C(=O)O)ccn1
InChIInChI=1S/C18H15N5O4/c1-19-17(25)13-8-11(4-7-21-13)14(24)9-12-15(18(26)27)16(23-22-12)10-2-5-20-6-3-10/h2-8H,9H2,1H3,(H,19,25)(H,22,23)(H,26,27)
InChIKeyVKOSYNADOAFIDS-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.35
Rot. Bonds6

About 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid

5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid (PubChem CID 160958722) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
PubChem CID160958722
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)Cc2[nH]nc(-c3ccncc3)c2C(=O)O)ccn1
InChIInChI=1S/C18H15N5O4/c1-19-17(25)13-8-11(4-7-21-13)14(24)9-12-15(18(26)27)16(23-22-12)10-2-5-20-6-3-10/h2-8H,9H2,1H3,(H,19,25)(H,22,23)(H,26,27)
InChIKeyVKOSYNADOAFIDS-UHFFFAOYSA-N
XLogP1.35
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid 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

methyl 5-ethyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 121212204
N-methyl-4-[methyl(pyridine-4-carbonyl)amino]pyridine-2-carboxamide
CID 174187705
N-methyl-5-(2-oxo-2-pyridin-2-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 22762092
bis(4-(4,5-dimethyl-1H-pyrazol-3-yl)pyridine);1-pyridin-4-ylbutane-1,3-dione;1-pyridin-4-ylethanone
CID 160723846
3-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]benzoic acid
CID 60893530
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934
4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 168930705
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid (CID 160958722) is 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid is CNC(=O)c1cc(C(=O)Cc2[nH]nc(-c3ccncc3)c2C(=O)O)ccn1.
What is the InChIKey of 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
The InChIKey is VKOSYNADOAFIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-19-17(25)13-8-11(4-7-21-13)14(24)9-12-15(18(26)27)16(23-22-12)10-2-5-20-6-3-10/h2-8H,9H2,1H3,(H,19,25)(H,22,23)(H,26,27).
What are the key properties of 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid?
5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid has a molecular weight of 365.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(methylcarbamoyl)-4-pyridinyl]-2-oxoethyl]-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 160958722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).