N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

C15H19N3O2 — CID 119495808

IUPACN-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2ccco2)ccc1C(=O)NCCC(C)N
InChIInChI=1S/C15H19N3O2/c1-10(16)7-8-17-15(19)12-5-6-13(18-11(12)2)14-4-3-9-20-14/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyREXFAGGRUVYMCE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.12
Rot. Bonds5

About N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 119495808) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID119495808
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2ccco2)ccc1C(=O)NCCC(C)N
InChIInChI=1S/C15H19N3O2/c1-10(16)7-8-17-15(19)12-5-6-13(18-11(12)2)14-4-3-9-20-14/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyREXFAGGRUVYMCE-UHFFFAOYSA-N
XLogP2.12
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-2-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500830
6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119430450
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
6-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylpyridine-3-carboxamide
CID 110922170
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
N-(3-aminobutyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119494830
tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate
CID 75458328
N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 167767168
6-(furan-2-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpyridine-3-carboxamide
CID 111481175
2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 120521980
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (CID 119495808) is N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is Cc1nc(-c2ccco2)ccc1C(=O)NCCC(C)N.
What is the InChIKey of N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is REXFAGGRUVYMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(16)7-8-17-15(19)12-5-6-13(18-11(12)2)14-4-3-9-20-14/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 119495808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).