2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide

C14H12ClN3O2 — CID 15406817

IUPAC2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide
SMILESNC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(=O)CCC2
InChIInChI=1S/C14H12ClN3O2/c15-11-10(14(16)20)13-9(19)4-2-6-18(13)12(11)8-3-1-5-17-7-8/h1,3,5,7H,2,4,6H2,(H2,16,20)
InChIKeyGCJWIOQMCBYOMU-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide

2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide (PubChem CID 15406817) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide.

Molecular Properties

Compound Name2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide
PubChem CID15406817
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide
SMILESNC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(=O)CCC2
InChIInChI=1S/C14H12ClN3O2/c15-11-10(14(16)20)13-9(19)4-2-6-18(13)12(11)8-3-1-5-17-7-8/h1,3,5,7H,2,4,6H2,(H2,16,20)
InChIKeyGCJWIOQMCBYOMU-UHFFFAOYSA-N
XLogP2.28
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide?
The IUPAC name of 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide (CID 15406817) is 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide.
What is the SMILES notation for 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide?
The canonical SMILES for 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide is NC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(=O)CCC2.
What is the InChIKey of 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide?
The InChIKey is GCJWIOQMCBYOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-10(14(16)20)13-9(19)4-2-6-18(13)12(11)8-3-1-5-17-7-8/h1,3,5,7H,2,4,6H2,(H2,16,20).
What are the key properties of 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide?
2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide is sourced from PubChem (CID 15406817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).