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

C13H17ClN2O2 — CID 103691065

IUPAC2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1cccnc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-11(5-2-6-15-12)13(18)16-8-9-3-1-4-10(17)7-9/h2,5-6,9-10,17H,1,3-4,7-8H2,(H,16,18)
InChIKeyATMYYUOMNALRHO-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.02
Rot. Bonds3

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

2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 103691065) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID103691065
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1cccnc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-11(5-2-6-15-12)13(18)16-8-9-3-1-4-10(17)7-9/h2,5-6,9-10,17H,1,3-4,7-8H2,(H,16,18)
InChIKeyATMYYUOMNALRHO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61053293
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (CID 103691065) is 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1CCCC(O)C1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is ATMYYUOMNALRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-11(5-2-6-15-12)13(18)16-8-9-3-1-4-10(17)7-9/h2,5-6,9-10,17H,1,3-4,7-8H2,(H,16,18).
What are the key properties of 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103691065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).