5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid

C18H17N5O3 — CID 167915885

IUPAC5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid
SMILESCC(C)(NC(=O)c1cccc(-c2ccncc2)n1)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C18H17N5O3/c1-18(2,15-10-14(17(25)26)22-23-15)21-16(24)13-5-3-4-12(20-13)11-6-8-19-9-7-11/h3-10H,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyIXXVYRLUKRLJMP-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.23
Rot. Bonds5

About 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid

5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid (PubChem CID 167915885) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid
PubChem CID167915885
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid
SMILESCC(C)(NC(=O)c1cccc(-c2ccncc2)n1)c1cc(C(=O)O)n[nH]1
InChIInChI=1S/C18H17N5O3/c1-18(2,15-10-14(17(25)26)22-23-15)21-16(24)13-5-3-4-12(20-13)11-6-8-19-9-7-11/h3-10H,1-2H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyIXXVYRLUKRLJMP-UHFFFAOYSA-N
XLogP2.23
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid with MolForge

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Related Compounds

methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
5-(2-methylbutan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 69116852
N-(4-piperazin-1-yl-3-pyridinyl)-6-pyridin-4-ylpyridine-2-carboxamide
CID 25176181
5-methyl-N-(2-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 47445811
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole-3-carboxylic acid
CID 87941387
6-(3-ethyl-4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 174420706
N-(2-cyano-2-methylpropyl)-6-(3-hydroxy-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 129208835

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid (CID 167915885) is 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid is CC(C)(NC(=O)c1cccc(-c2ccncc2)n1)c1cc(C(=O)O)n[nH]1.
What is the InChIKey of 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is IXXVYRLUKRLJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-18(2,15-10-14(17(25)26)22-23-15)21-16(24)13-5-3-4-12(20-13)11-6-8-19-9-7-11/h3-10H,1-2H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid?
5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6-pyridin-4-ylpyridine-2-carbonyl)amino]propan-2-yl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 167915885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).