6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide

C13H17ClN2O2 — CID 65107127

IUPAC6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-4-10(8-15-11)12(17)16-9-13(18)6-2-1-3-7-13/h4-5,8,18H,1-3,6-7,9H2,(H,16,17)
InChIKeyFZHQTJQKMLQWTB-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.16
Rot. Bonds3

About 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide

6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 65107127) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID65107127
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-4-10(8-15-11)12(17)16-9-13(18)6-2-1-3-7-13/h4-5,8,18H,1-3,6-7,9H2,(H,16,17)
InChIKeyFZHQTJQKMLQWTB-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.16
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

1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-hydroxycyclopentyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 111333099
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
N-[(1-hydroxycyclopentyl)methyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 111332971

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (CID 65107127) is 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1(O)CCCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is FZHQTJQKMLQWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-5-4-10(8-15-11)12(17)16-9-13(18)6-2-1-3-7-13/h4-5,8,18H,1-3,6-7,9H2,(H,16,17).
What are the key properties of 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 65107127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).