2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

C15H21ClN2O2 — CID 106120872

IUPAC2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O2/c1-2-12-7-11(8-14(16)18-12)15(20)17-9-10-4-3-5-13(19)6-10/h7-8,10,13,19H,2-6,9H2,1H3,(H,17,20)
InChIKeyNJHZVQSNIUHMCP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 106120872) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID106120872
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCC(O)C2)cc(Cl)n1
InChIInChI=1S/C15H21ClN2O2/c1-2-12-7-11(8-14(16)18-12)15(20)17-9-10-4-3-5-13(19)6-10/h7-8,10,13,19H,2-6,9H2,1H3,(H,17,20)
InChIKeyNJHZVQSNIUHMCP-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
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-N-[(3-hydroxycyclohexyl)methyl]-6-propylpyridine-4-carboxamide
CID 106120801
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822
2,6-dichloro-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66004828
2-amino-N-(cyclopentylmethyl)-6-ethylpyridine-4-carboxamide
CID 113380993
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 106127994
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (CID 106120872) is 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is CCc1cc(C(=O)NCC2CCCC(O)C2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is NJHZVQSNIUHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-12-7-11(8-14(16)18-12)15(20)17-9-10-4-3-5-13(19)6-10/h7-8,10,13,19H,2-6,9H2,1H3,(H,17,20).
What are the key properties of 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 106120872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).