2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile

C14H19N3O — CID 103878080

IUPAC2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCC2CCCC(O)C2)n1
InChIInChI=1S/C14H19N3O/c1-10-5-6-12(8-15)14(17-10)16-9-11-3-2-4-13(18)7-11/h5-6,11,13,18H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyKBCOHWLEONHAQM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds3

About 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile

2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile (PubChem CID 103878080) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
PubChem CID103878080
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCC2CCCC(O)C2)n1
InChIInChI=1S/C14H19N3O/c1-10-5-6-12(8-15)14(17-10)16-9-11-3-2-4-13(18)7-11/h5-6,11,13,18H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyKBCOHWLEONHAQM-UHFFFAOYSA-N
XLogP2.22
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxycyclohexyl)methylamino]-4-methylbenzonitrile
CID 114147390
2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 106137549
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
CID 106129313
2-[(3-hydroxycyclopentyl)methylamino]-4-methylpyridine-3-carbonitrile
CID 103269649
2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106130022
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114148584

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile (CID 103878080) is 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCC2CCCC(O)C2)n1.
What is the InChIKey of 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile?
The InChIKey is KBCOHWLEONHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-5-6-12(8-15)14(17-10)16-9-11-3-2-4-13(18)7-11/h5-6,11,13,18H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile?
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 103878080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).