2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide

C13H16Cl2N2O2 — CID 103860531

IUPAC2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1CO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-5-9(6-12(15)17-11)13(19)16-10-4-2-1-3-8(10)7-18/h5-6,8,10,18H,1-4,7H2,(H,16,19)
InChIKeyIWZWGWGQYPXLKW-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.67
Rot. Bonds3

About 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide

2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide (PubChem CID 103860531) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
PubChem CID103860531
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1CO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-5-9(6-12(15)17-11)13(19)16-10-4-2-1-3-8(10)7-18/h5-6,8,10,18H,1-4,7H2,(H,16,19)
InChIKeyIWZWGWGQYPXLKW-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.67
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-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide
CID 110011733
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 63499362
3-amino-4,5-dichloro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358612
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide (CID 103860531) is 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide is O=C(NC1CCCCC1CO)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is IWZWGWGQYPXLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-5-9(6-12(15)17-11)13(19)16-10-4-2-1-3-8(10)7-18/h5-6,8,10,18H,1-4,7H2,(H,16,19).
What are the key properties of 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide?
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 103860531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).