N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C14H19N3O2 — CID 103718095

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN3CCCC23)c[nH]1
InChIInChI=1S/C14H19N3O2/c1-9-7-13(18)10(8-15-9)14(19)16-11-4-6-17-5-2-3-12(11)17/h7-8,11-12H,2-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyNFFJRKAFUFFIRT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.65
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103718095) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103718095
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN3CCCC23)c[nH]1
InChIInChI=1S/C14H19N3O2/c1-9-7-13(18)10(8-15-9)14(19)16-11-4-6-17-5-2-3-12(11)17/h7-8,11-12H,2-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyNFFJRKAFUFFIRT-UHFFFAOYSA-N
XLogP0.65
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103716717
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 100845910
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976773
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
CID 79795341
N-[(3S,4R)-1-cycloheptyl-4-cyclopropylpyrrolidin-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 133120733
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-hydroxy-2-methylbenzamide
CID 137334234
N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoyl)benzoic acid
CID 60941055
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-hydrazinylbenzamide
CID 62247113
2-amino-5-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 43696372
5-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylthiophene-2-carboxamide
CID 79964116
6-methyl-4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 103696488

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103718095) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN3CCCC23)c[nH]1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NFFJRKAFUFFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-7-13(18)10(8-15-9)14(19)16-11-4-6-17-5-2-3-12(11)17/h7-8,11-12H,2-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103718095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).