2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide

C13H16Cl2N2O2 — CID 106993969

IUPAC2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-11-6-5-9(12(15)17-11)13(19)16-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,16,19)
InChIKeyNKTCKGNBSYXWGH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.67
Rot. Bonds3

About 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide

2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 106993969) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID106993969
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-11-6-5-9(12(15)17-11)13(19)16-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,16,19)
InChIKeyNKTCKGNBSYXWGH-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

3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993314
4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide
CID 99778357
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
CID 110027707
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide (CID 106993969) is 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1CCCCC1O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is NKTCKGNBSYXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-6-5-9(12(15)17-11)13(19)16-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7H2,(H,16,19).
What are the key properties of 2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]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-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).