2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide

C13H14ClN3O2 — CID 113379883

IUPAC2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2cc(C)no2)cc(Cl)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-10-5-9(6-12(14)16-10)13(18)15-7-11-4-8(2)17-19-11/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyUKRYWKKVXICMAQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.52
Rot. Bonds4

About 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide (PubChem CID 113379883) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
PubChem CID113379883
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2cc(C)no2)cc(Cl)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-10-5-9(6-12(14)16-10)13(18)15-7-11-4-8(2)17-19-11/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyUKRYWKKVXICMAQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.52
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-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
5-amino-2-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114089461
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 114175102
2,5-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide
CID 114918320
2-chloro-6-ethyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 106415762
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide (CID 113379883) is 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide is CCc1cc(C(=O)NCc2cc(C)no2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
The InChIKey is UKRYWKKVXICMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-10-5-9(6-12(14)16-10)13(18)15-7-11-4-8(2)17-19-11/h4-6H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113379883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).