N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

C14H17N3O3 — CID 119495794

IUPACN-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-9(15)6-7-16-13(18)10-4-5-11(17-14(10)19)12-3-2-8-20-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyGBOTZMGIULDHGB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.10
Rot. Bonds5

About N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 119495794) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID119495794
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(N)CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-9(15)6-7-16-13(18)10-4-5-11(17-14(10)19)12-3-2-8-20-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyGBOTZMGIULDHGB-UHFFFAOYSA-N
XLogP1.10
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 119495808
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 119445716
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119606209
6-(furan-2-yl)-N-[(2S,3R)-1-hydroxy-3-phenylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97255840
N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119619648
6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 138041587
6-(furan-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977420
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 119495794) is N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is CC(N)CCNC(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GBOTZMGIULDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(15)6-7-16-13(18)10-4-5-11(17-14(10)19)12-3-2-8-20-12/h2-5,8-9H,6-7,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 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-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119495794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).