2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide

C13H16Cl2N2O2 — CID 112752696

IUPAC2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC(CO)C1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-11-5-4-10(12(15)17-11)13(19)16-9-3-1-2-8(6-9)7-18/h4-5,8-9,18H,1-3,6-7H2,(H,16,19)
InChIKeyAXMHRJQKNBCJKQ-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.67
Rot. Bonds3

About 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide

2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 112752696) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID112752696
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCC(CO)C1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-11-5-4-10(12(15)17-11)13(19)16-9-3-1-2-8(6-9)7-18/h4-5,8-9,18H,1-3,6-7H2,(H,16,19)
InChIKeyAXMHRJQKNBCJKQ-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

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide
CID 106993787
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 163305949
4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
CID 112752852
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
4-[(2,6-dichloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114036961
3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
CID 54898284
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
6-chloro-N-cyclohexyl-2-(propylamino)pyridine-3-carboxamide
CID 59830775
5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
CID 107257826
methyl (1S,2S,3S,4S)-3-[(2,6-dichloropyridine-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98351784

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide (CID 112752696) is 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCCC(CO)C1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is AXMHRJQKNBCJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-5-4-10(12(15)17-11)13(19)16-9-3-1-2-8(6-9)7-18/h4-5,8-9,18H,1-3,6-7H2,(H,16,19).
What are the key properties of 2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-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-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 112752696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).