N-butyl-2-chloropyridine-3-carboxamide

C10H13ClN2O — CID 3043791

IUPACN-butyl-2-chloropyridine-3-carboxamide
SMILESCCCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O/c1-2-3-6-13-10(14)8-5-4-7-12-9(8)11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyLBORWQKGAKVTME-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.26
Rot. Bonds4

About N-butyl-2-chloropyridine-3-carboxamide

N-butyl-2-chloropyridine-3-carboxamide (PubChem CID 3043791) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-butyl-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloropyridine-3-carboxamide
PubChem CID3043791
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-butyl-2-chloropyridine-3-carboxamide
SMILESCCCCNC(=O)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O/c1-2-3-6-13-10(14)8-5-4-7-12-9(8)11/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyLBORWQKGAKVTME-UHFFFAOYSA-N
XLogP2.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.26
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloropyridine-3-carboxamide?
The IUPAC name of N-butyl-2-chloropyridine-3-carboxamide (CID 3043791) is N-butyl-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-chloropyridine-3-carboxamide is CCCCNC(=O)c1cccnc1Cl.
What is the InChIKey of N-butyl-2-chloropyridine-3-carboxamide?
The InChIKey is LBORWQKGAKVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-3-6-13-10(14)8-5-4-7-12-9(8)11/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of N-butyl-2-chloropyridine-3-carboxamide?
N-butyl-2-chloropyridine-3-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 3043791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).