2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide

C13H14ClN3O2 — CID 106415797

IUPAC2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccno2)cc(Cl)n1
InChIInChI=1S/C13H14ClN3O2/c1-2-3-10-6-9(7-12(14)17-10)13(18)15-8-11-4-5-16-19-11/h4-7H,2-3,8H2,1H3,(H,15,18)
InChIKeyHLVILOFGOLNDDE-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide (PubChem CID 106415797) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
PubChem CID106415797
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccno2)cc(Cl)n1
InChIInChI=1S/C13H14ClN3O2/c1-2-3-10-6-9(7-12(14)17-10)13(18)15-8-11-4-5-16-19-11/h4-7H,2-3,8H2,1H3,(H,15,18)
InChIKeyHLVILOFGOLNDDE-UHFFFAOYSA-N
XLogP2.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
2-ethyl-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-4-carboxamide
CID 106423091
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
N-(1,2-oxazol-5-ylmethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114186847
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 113379883
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide (CID 106415797) is 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCc2ccno2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide?
The InChIKey is HLVILOFGOLNDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-2-3-10-6-9(7-12(14)17-10)13(18)15-8-11-4-5-16-19-11/h4-7H,2-3,8H2,1H3,(H,15,18).
What are the key properties of 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 106415797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).