5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide

C13H17N5O — CID 104641010

IUPAC5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cn[nH]c2)nc1
InChIInChI=1S/C13H17N5O/c1-2-5-14-11-3-4-12(15-9-11)13(19)16-6-10-7-17-18-8-10/h3-4,7-9,14H,2,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyYLDYVPZKZBNFPI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds6

About 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide

5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 104641010) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
PubChem CID104641010
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cn[nH]c2)nc1
InChIInChI=1S/C13H17N5O/c1-2-5-14-11-3-4-12(15-9-11)13(19)16-6-10-7-17-18-8-10/h3-4,7-9,14H,2,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyYLDYVPZKZBNFPI-UHFFFAOYSA-N
XLogP1.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
3-fluoro-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105385866
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
N-[(5-methylpyrazin-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641173
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-bromo-2-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-3-carboxamide
CID 62178513
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104641591
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide (CID 104641010) is 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NCc2cn[nH]c2)nc1.
What is the InChIKey of 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YLDYVPZKZBNFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-5-14-11-3-4-12(15-9-11)13(19)16-6-10-7-17-18-8-10/h3-4,7-9,14H,2,5-6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide?
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104641010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).