4-chloro-N-prop-2-enylpyridine-2-carboxamide

C9H9ClN2O — CID 3743768

IUPAC4-chloro-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C9H9ClN2O/c1-2-4-12-9(13)8-6-7(10)3-5-11-8/h2-3,5-6H,1,4H2,(H,12,13)
InChIKeyLAMKZJVCFAVBHN-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.65
Rot. Bonds3

About 4-chloro-N-prop-2-enylpyridine-2-carboxamide

4-chloro-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 3743768) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-prop-2-enylpyridine-2-carboxamide
PubChem CID3743768
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-chloro-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C9H9ClN2O/c1-2-4-12-9(13)8-6-7(10)3-5-11-8/h2-3,5-6H,1,4H2,(H,12,13)
InChIKeyLAMKZJVCFAVBHN-UHFFFAOYSA-N
XLogP1.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71307
VU0364770
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2-Pyridinecarboxamide
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4-Chloro-N-methylpicolinamide
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4-chloropyridine-2-carbonyl Chloride
CID 11095146
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
Pyridine-2-carboxylic acid (2-amino-phenyl)-amide
CID 817096
4-Chloro-N,N-diethylpyridine-2-carboxamide
CID 2531799
4-Chloropyridine-2-carboxamide
CID 303543
N-cyclohexylpyridine-2-carboxamide
CID 10608271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-prop-2-enylpyridine-2-carboxamide (CID 3743768) is 4-chloro-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is LAMKZJVCFAVBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-2-4-12-9(13)8-6-7(10)3-5-11-8/h2-3,5-6H,1,4H2,(H,12,13).
What are the key properties of 4-chloro-N-prop-2-enylpyridine-2-carboxamide?
4-chloro-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 196.64 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 3743768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).