2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C15H13ClN4O — CID 51039262

IUPAC2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESN#Cc1c(N)c(C(=O)Nc2ccccc2Cl)n2c1CCC2
InChIInChI=1S/C15H13ClN4O/c16-10-4-1-2-5-11(10)19-15(21)14-13(18)9(8-17)12-6-3-7-20(12)14/h1-2,4-5H,3,6-7,18H2,(H,19,21)
InChIKeyKGPFRRRTELTQCE-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.79
Rot. Bonds2

About 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide

2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 51039262) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID51039262
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESN#Cc1c(N)c(C(=O)Nc2ccccc2Cl)n2c1CCC2
InChIInChI=1S/C15H13ClN4O/c16-10-4-1-2-5-11(10)19-15(21)14-13(18)9(8-17)12-6-3-7-20(12)14/h1-2,4-5H,3,6-7,18H2,(H,19,21)
InChIKeyKGPFRRRTELTQCE-UHFFFAOYSA-N
XLogP2.79
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzoyl-7-cyano-2,3-dihydro-1H-pyrrolizin-6-yl)-2-chloroacetamide
CID 872979
N-(4-chlorophenyl)-1-cyano-2-(pyridin-3-ylmethylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 137641244
1-cyano-N-phenyl-2-(pyridin-3-ylmethylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 137652097
N-(4-chlorophenyl)-1-cyano-2-(naphthalen-2-ylmethylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 137659915
N-(4-chlorophenyl)-1-cyano-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155534995
N-(4-chlorophenyl)-1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155544451
1-cyano-N-phenyl-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155545512
1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155564403
4-(4-fluorophenyl)-2,5-dioxo-3,7,8,9-tetrahydro-1H-[1,4]diazepino[5,6-b]pyrrolizine-10-carbonitrile
CID 164608771
6-amino-5-benzoyl-2,3-dihydro-1H-pyrrolizine-7-carbonitrile
CID 741280
1-[2-(tert-butylamino)-2-oxoacetyl]-2-chloro-N-(3-cyano-4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285096
2-chloro-N-(3-cyano-4-fluorophenyl)-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 156023135

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 51039262) is 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide is N#Cc1c(N)c(C(=O)Nc2ccccc2Cl)n2c1CCC2.
What is the InChIKey of 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is KGPFRRRTELTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-10-4-1-2-5-11(10)19-15(21)14-13(18)9(8-17)12-6-3-7-20(12)14/h1-2,4-5H,3,6-7,18H2,(H,19,21).
What are the key properties of 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chlorophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 51039262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).