N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide

C16H25N3O — CID 107415245

IUPACN-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCC(C)C2)ccn1
InChIInChI=1S/C16H25N3O/c1-3-7-17-15-10-14(6-8-18-15)16(20)19-11-13-5-4-12(2)9-13/h6,8,10,12-13H,3-5,7,9,11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZFGJVOMXKKLBAC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.07
Rot. Bonds6

About N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide

N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 107415245) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID107415245
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCC(C)C2)ccn1
InChIInChI=1S/C16H25N3O/c1-3-7-17-15-10-14(6-8-18-15)16(20)19-11-13-5-4-12(2)9-13/h6,8,10,12-13H,3-5,7,9,11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyZFGJVOMXKKLBAC-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62979979
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62244029
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide (CID 107415245) is N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC2CCC(C)C2)ccn1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is ZFGJVOMXKKLBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-7-17-15-10-14(6-8-18-15)16(20)19-11-13-5-4-12(2)9-13/h6,8,10,12-13H,3-5,7,9,11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide?
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107415245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).