3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide

C14H18Cl2N2O2 — CID 65118546

IUPAC3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-9-4-6-14(20,7-5-9)8-17-13(19)12-10(15)2-3-11(16)18-12/h2-3,9,20H,4-8H2,1H3,(H,17,19)
InChIKeyAKMXOSSRTNVKGK-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.06
Rot. Bonds3

About 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide

3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 65118546) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID65118546
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-9-4-6-14(20,7-5-9)8-17-13(19)12-10(15)2-3-11(16)18-12/h2-3,9,20H,4-8H2,1H3,(H,17,19)
InChIKeyAKMXOSSRTNVKGK-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.06
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

3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
3,6-dichloro-N-[(3-hydroxythiolan-3-yl)methyl]pyridine-2-carboxamide
CID 71981848
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751194
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide (CID 65118546) is 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide is CC1CCC(O)(CNC(=O)c2nc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is AKMXOSSRTNVKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9-4-6-14(20,7-5-9)8-17-13(19)12-10(15)2-3-11(16)18-12/h2-3,9,20H,4-8H2,1H3,(H,17,19).
What are the key properties of 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 65118546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).