N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide

C15H24N4O — CID 62179148

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCN(C)C2)ccn1
InChIInChI=1S/C15H24N4O/c1-3-6-16-14-9-13(4-7-17-14)15(20)18-10-12-5-8-19(2)11-12/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyFSMASNGCNUMGEG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds6

About N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide

N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62179148) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID62179148
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC2CCN(C)C2)ccn1
InChIInChI=1S/C15H24N4O/c1-3-6-16-14-9-13(4-7-17-14)15(20)18-10-12-5-8-19(2)11-12/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyFSMASNGCNUMGEG-UHFFFAOYSA-N
XLogP1.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
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
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (CID 62179148) is N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC2CCN(C)C2)ccn1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is FSMASNGCNUMGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-16-14-9-13(4-7-17-14)15(20)18-10-12-5-8-19(2)11-12/h4,7,9,12H,3,5-6,8,10-11H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).