1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide

C12H17ClN4O — CID 114046115

IUPAC1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncc(N)cc1Cl
InChIInChI=1S/C12H17ClN4O/c1-16(2)12(18)10-4-3-5-17(10)11-9(13)6-8(14)7-15-11/h6-7,10H,3-5,14H2,1-2H3
InChIKeyZLZSJEHPJDBLAH-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.37
Rot. Bonds2

About 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 114046115) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID114046115
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncc(N)cc1Cl
InChIInChI=1S/C12H17ClN4O/c1-16(2)12(18)10-4-3-5-17(10)11-9(13)6-8(14)7-15-11/h6-7,10H,3-5,14H2,1-2H3
InChIKeyZLZSJEHPJDBLAH-UHFFFAOYSA-N
XLogP1.37
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 114046115) is 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ncc(N)cc1Cl.
What is the InChIKey of 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ZLZSJEHPJDBLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-16(2)12(18)10-4-3-5-17(10)11-9(13)6-8(14)7-15-11/h6-7,10H,3-5,14H2,1-2H3.
What are the key properties of 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114046115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).