2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide

C11H14ClN3O — CID 115919826

IUPAC2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O/c1-2-5-14-11(16)8-13-6-9-3-4-10(12)15-7-9/h2-4,7,13H,1,5-6,8H2,(H,14,16)
InChIKeyQSWJDEMZOUNUHS-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.13
Rot. Bonds6

About 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide

2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide (PubChem CID 115919826) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
PubChem CID115919826
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNCc1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O/c1-2-5-14-11(16)8-13-6-9-3-4-10(12)15-7-9/h2-4,7,13H,1,5-6,8H2,(H,14,16)
InChIKeyQSWJDEMZOUNUHS-UHFFFAOYSA-N
XLogP1.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide 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-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
CID 108992941
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
5-[(6-chloro-3-pyridinyl)methylamino]pent-3-enoic acid
CID 150537732
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
3-[(6-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115683654
(6-chloro-3-pyridinyl)methylcarbamodithioic acid
CID 11807317
CID 163533915
CID 163533915
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylacetamide
CID 108992943
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
3-[(6-chloro-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 115678460
(3E,5Z)-N-[(6-chloro-3-pyridinyl)methyl]octa-1,3,5,7-tetraen-4-amine
CID 143694179

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide (CID 115919826) is 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNCc1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide?
The InChIKey is QSWJDEMZOUNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-2-5-14-11(16)8-13-6-9-3-4-10(12)15-7-9/h2-4,7,13H,1,5-6,8H2,(H,14,16).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide?
2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide has a molecular weight of 239.71 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 115919826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).