2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide

C11H13ClN2O — CID 43401639

IUPAC2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Cl)c1)C1CC1
InChIInChI=1S/C11H13ClN2O/c1-7(8-2-3-8)14-11(15)9-4-5-13-10(12)6-9/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyLZBXXHXEYKLSBN-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide

2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide (PubChem CID 43401639) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide
PubChem CID43401639
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Cl)c1)C1CC1
InChIInChI=1S/C11H13ClN2O/c1-7(8-2-3-8)14-11(15)9-4-5-13-10(12)6-9/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyLZBXXHXEYKLSBN-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide (CID 43401639) is 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccnc(Cl)c1)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide?
The InChIKey is LZBXXHXEYKLSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(8-2-3-8)14-11(15)9-4-5-13-10(12)6-9/h4-8H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide?
2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 43401639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).