2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide

C15H13N5O — CID 162627810

IUPAC2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C15H13N5O/c16-15(21)11-5-7-17-14(9-11)19-12-3-1-4-13(10-12)20-8-2-6-18-20/h1-10H,(H2,16,21)(H,17,19)
InChIKeyCMKLMIAWXQFAMP-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide

2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide (PubChem CID 162627810) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
PubChem CID162627810
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C15H13N5O/c16-15(21)11-5-7-17-14(9-11)19-12-3-1-4-13(10-12)20-8-2-6-18-20/h1-10H,(H2,16,21)(H,17,19)
InChIKeyCMKLMIAWXQFAMP-UHFFFAOYSA-N
XLogP2.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-pyrazol-1-ylphenyl)pyridin-2-amine
CID 162630753
2-(cyclopropylamino)-N-(3-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 167896972
N-(3-pyrazol-1-ylphenyl)pyridin-4-amine
CID 162626187
2-(quinolin-6-ylamino)pyridine-4-carboxamide
CID 117094623
methyl 2-(3-pyrazol-1-ylanilino)propanoate
CID 66174331
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741
N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
CID 18945125
3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline
CID 162626213
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide?
The IUPAC name of 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide (CID 162627810) is 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide is NC(=O)c1ccnc(Nc2cccc(-n3cccn3)c2)c1.
What is the InChIKey of 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide?
The InChIKey is CMKLMIAWXQFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-15(21)11-5-7-17-14(9-11)19-12-3-1-4-13(10-12)20-8-2-6-18-20/h1-10H,(H2,16,21)(H,17,19).
What are the key properties of 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide?
2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 162627810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).