2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide

C14H18Cl2N2O2 — CID 115701162

IUPAC2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-10(7-12(16)18-11)13(20)17-8-14(9-19)4-2-1-3-5-14/h6-7,19H,1-5,8-9H2,(H,17,20)
InChIKeyWMOODPMBGSFVCG-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.06
Rot. Bonds4

About 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide

2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide (PubChem CID 115701162) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
PubChem CID115701162
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-10(7-12(16)18-11)13(20)17-8-14(9-19)4-2-1-3-5-14/h6-7,19H,1-5,8-9H2,(H,17,20)
InChIKeyWMOODPMBGSFVCG-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80717032

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide (CID 115701162) is 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide is O=C(NCC1(CO)CCCCC1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
The InChIKey is WMOODPMBGSFVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-6-10(7-12(16)18-11)13(20)17-8-14(9-19)4-2-1-3-5-14/h6-7,19H,1-5,8-9H2,(H,17,20).
What are the key properties of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115701162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).