N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide

C14H18N4O — CID 71989878

IUPACN-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCCCC(C)c1cc(NC(=O)c2cccnc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-3-5-10(2)12-8-13(18-17-12)16-14(19)11-6-4-7-15-9-11/h4,6-10H,3,5H2,1-2H3,(H2,16,17,18,19)
InChIKeyFWNSYRYCNVEOFE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.96
Rot. Bonds5

About N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide

N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 71989878) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
PubChem CID71989878
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCCCC(C)c1cc(NC(=O)c2cccnc2)n[nH]1
InChIInChI=1S/C14H18N4O/c1-3-5-10(2)12-8-13(18-17-12)16-14(19)11-6-4-7-15-9-11/h4,6-10H,3,5H2,1-2H3,(H2,16,17,18,19)
InChIKeyFWNSYRYCNVEOFE-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 124607479
N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 51102512
N-[5-(butan-2-ylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113024266
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide
CID 78780746
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 115694778
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
N-(6-propan-2-ylpyrazin-2-yl)pyridine-3-carboxamide
CID 153291123
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide (CID 71989878) is N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide is CCCC(C)c1cc(NC(=O)c2cccnc2)n[nH]1.
What is the InChIKey of N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is FWNSYRYCNVEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-5-10(2)12-8-13(18-17-12)16-14(19)11-6-4-7-15-9-11/h4,6-10H,3,5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71989878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).