2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide

C12H19ClN4O — CID 62890998

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(N)ccc1Cl
InChIInChI=1S/C12H19ClN4O/c1-3-6-17(8-12(18)15-2)7-10-9(13)4-5-11(14)16-10/h4-5H,3,6-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyBGBOWFLKDQFJRR-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.28
Rot. Bonds6

About 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide

2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide (PubChem CID 62890998) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
PubChem CID62890998
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1nc(N)ccc1Cl
InChIInChI=1S/C12H19ClN4O/c1-3-6-17(8-12(18)15-2)7-10-9(13)4-5-11(14)16-10/h4-5H,3,6-8H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyBGBOWFLKDQFJRR-UHFFFAOYSA-N
XLogP1.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide 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

2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62892210
2-[(6-amino-3-pyridinyl)methyl-propylamino]-N-methylacetamide
CID 55046759
5-chloro-6-[[methyl(propyl)amino]methyl]pyridin-2-amine
CID 62890602
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80657671
5-chloro-6-[(dipropylamino)methyl]-N-methylpyridin-2-amine
CID 62891120
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]-N-methylacetamide
CID 62891649
2-[(6-amino-3-chloro-2-pyridinyl)methyl-methylamino]-N,N-dimethylacetamide
CID 62892874
5-chloro-6-[[cyclopropyl(propyl)amino]methyl]pyridin-2-amine
CID 62891822
5-chloro-6-[(dimethylamino)methyl]pyridin-2-amine
CID 62893036
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
CID 62892380
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
ethyl 2-(6-amino-3-chloro-2-pyridinyl)acetate
CID 58972926

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide (CID 62890998) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1nc(N)ccc1Cl.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide?
The InChIKey is BGBOWFLKDQFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-3-6-17(8-12(18)15-2)7-10-9(13)4-5-11(14)16-10/h4-5H,3,6-8H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 62890998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).