[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol

C14H21ClN2O — CID 55005290

IUPAC[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
SMILESCC1CCCCC1N(C)c1ncc(CO)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)17(2)14-12(15)7-11(9-18)8-16-14/h7-8,10,13,18H,3-6,9H2,1-2H3
InChIKeyMFVMAKULGWFRGD-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.24
Rot. Bonds3

About [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol

[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol (PubChem CID 55005290) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
PubChem CID55005290
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol
SMILESCC1CCCCC1N(C)c1ncc(CO)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)17(2)14-12(15)7-11(9-18)8-16-14/h7-8,10,13,18H,3-6,9H2,1-2H3
InChIKeyMFVMAKULGWFRGD-UHFFFAOYSA-N
XLogP3.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol (CID 55005290) is [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol is CC1CCCCC1N(C)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
The InChIKey is MFVMAKULGWFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-5-3-4-6-13(10)17(2)14-12(15)7-11(9-18)8-16-14/h7-8,10,13,18H,3-6,9H2,1-2H3.
What are the key properties of [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl-(2-methylcyclohexyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 55005290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).