N-(4-chloro-3-pyridinyl)prop-2-enamide

C8H7ClN2O — CID 83167019

IUPACN-(4-chloro-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cnccc1Cl
InChIInChI=1S/C8H7ClN2O/c1-2-8(12)11-7-5-10-4-3-6(7)9/h2-5H,1H2,(H,11,12)
InChIKeyLQYAJBPKOYVYOL-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.86
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)prop-2-enamide

N-(4-chloro-3-pyridinyl)prop-2-enamide (PubChem CID 83167019) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)prop-2-enamide
PubChem CID83167019
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC NameN-(4-chloro-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1cnccc1Cl
InChIInChI=1S/C8H7ClN2O/c1-2-8(12)11-7-5-10-4-3-6(7)9/h2-5H,1H2,(H,11,12)
InChIKeyLQYAJBPKOYVYOL-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 103670335
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
CID 162345670
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
N-(4-chloro-3-pyridinyl)-5-hydroxypentanamide
CID 83166682
N-(4-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 78965933
N-(4-chloro-3-pyridinyl)-2-iodobenzamide
CID 78965019
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
N-(4-chloro-3-pyridinyl)-3-phenylprop-2-ynamide
CID 113253382
N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 130162078

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)prop-2-enamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)prop-2-enamide (CID 83167019) is N-(4-chloro-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)prop-2-enamide is C=CC(=O)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)prop-2-enamide?
The InChIKey is LQYAJBPKOYVYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-2-8(12)11-7-5-10-4-3-6(7)9/h2-5H,1H2,(H,11,12).
What are the key properties of N-(4-chloro-3-pyridinyl)prop-2-enamide?
N-(4-chloro-3-pyridinyl)prop-2-enamide has a molecular weight of 182.61 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 83167019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).