2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

C13H17ClN2O2 — CID 113379822

IUPAC2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCC2CCOC2)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-2-11-5-10(6-12(14)16-11)13(17)15-7-9-3-4-18-8-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyMPRMKYIUFZLYTA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.06
Rot. Bonds4

About 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 113379822) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID113379822
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCC2CCOC2)cc(Cl)n1
InChIInChI=1S/C13H17ClN2O2/c1-2-11-5-10(6-12(14)16-11)13(17)15-7-9-3-4-18-8-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyMPRMKYIUFZLYTA-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106120872
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
2-chloro-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
CID 106120801
6-chloro-N-(oxolan-3-ylmethyl)pyridazine-3-carboxamide
CID 61052267
2-amino-N-(cyclopentylmethyl)-6-ethylpyridine-4-carboxamide
CID 113380993
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
N-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide (CID 113379822) is 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is CCc1cc(C(=O)NCC2CCOC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is MPRMKYIUFZLYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-11-5-10(6-12(14)16-11)13(17)15-7-9-3-4-18-8-9/h5-6,9H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113379822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).