6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide

C11H13ClN2O — CID 115627725

IUPAC6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
SMILESC/C=C/CCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O/c1-2-3-4-7-13-11(15)9-5-6-10(12)14-8-9/h2-3,5-6,8H,4,7H2,1H3,(H,13,15)/b3-2+
InChIKeyILVLGAXENYLZPJ-NSCUHMNNSA-N
MW224.69 g/mol
LogP2.43
Rot. Bonds4

About 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide

6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide (PubChem CID 115627725) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
PubChem CID115627725
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
SMILESC/C=C/CCNC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O/c1-2-3-4-7-13-11(15)9-5-6-10(12)14-8-9/h2-3,5-6,8H,4,7H2,1H3,(H,13,15)/b3-2+
InChIKeyILVLGAXENYLZPJ-NSCUHMNNSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 6-chloro-N-[(E)-pent-3-enyl]pyridine-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

6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
CID 104626323
6-chloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 79003057
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115627788
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide (CID 115627725) is 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide is C/C=C/CCNC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide?
The InChIKey is ILVLGAXENYLZPJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-3-4-7-13-11(15)9-5-6-10(12)14-8-9/h2-3,5-6,8H,4,7H2,1H3,(H,13,15)/b3-2+.
What are the key properties of 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide?
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide is sourced from PubChem (CID 115627725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).