2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile

C14H19N3O — CID 114769770

IUPAC2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCCCCC2O)n1
InChIInChI=1S/C14H19N3O/c1-10-7-11(9-15)8-14(16-10)17-12-5-3-2-4-6-13(12)18/h7-8,12-13,18H,2-6H2,1H3,(H,16,17)
InChIKeyZYJNAZYHWYOJDZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds2

About 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile

2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114769770) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114769770
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC2CCCCCC2O)n1
InChIInChI=1S/C14H19N3O/c1-10-7-11(9-15)8-14(16-10)17-12-5-3-2-4-6-13(12)18/h7-8,12-13,18H,2-6H2,1H3,(H,16,17)
InChIKeyZYJNAZYHWYOJDZ-UHFFFAOYSA-N
XLogP2.37
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carbonitrile
CID 114123234
2-methyl-6-[(2-methylcyclopropyl)amino]pyridine-4-carbonitrile
CID 114766194
3-[(2-hydroxycycloheptyl)amino]-4-methylbenzonitrile
CID 62103743
2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552012
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
CID 136544292
2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 114770152
2-methyl-6-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyridine-4-carbonitrile
CID 166248410
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768292
4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60884623
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 66326095
2-methyl-6-(oxolan-3-ylamino)pyridine-4-carbonitrile
CID 114766475

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile (CID 114769770) is 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC2CCCCCC2O)n1.
What is the InChIKey of 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is ZYJNAZYHWYOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-7-11(9-15)8-14(16-10)17-12-5-3-2-4-6-13(12)18/h7-8,12-13,18H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile?
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114769770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).