2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide

C14H17ClN2O — CID 15439964

IUPAC2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCCCN(CC=C)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H17ClN2O/c1-3-5-6-11-17(10-4-2)14(18)12-8-7-9-16-13(12)15/h3-4,7-9H,1-2,5-6,10-11H2
InChIKeyXKODIMOKTCXHMM-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.33
Rot. Bonds7

About 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide

2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 15439964) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide
PubChem CID15439964
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCCCN(CC=C)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H17ClN2O/c1-3-5-6-11-17(10-4-2)14(18)12-8-7-9-16-13(12)15/h3-4,7-9H,1-2,5-6,10-11H2
InChIKeyXKODIMOKTCXHMM-UHFFFAOYSA-N
XLogP3.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-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

2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742751
2-chloro-3-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 64857246
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-prop-2-enylbenzamide
CID 82103848
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
1-(2-chloro-3-pyridinyl)but-2-en-1-one
CID 78128433
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide (CID 15439964) is 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide is C=CCCCN(CC=C)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is XKODIMOKTCXHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-5-6-11-17(10-4-2)14(18)12-8-7-9-16-13(12)15/h3-4,7-9H,1-2,5-6,10-11H2.
What are the key properties of 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide?
2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 15439964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).