4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile

C13H17N3O — CID 106129313

IUPAC4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCC2CCCC(O)C2)ccn1
InChIInChI=1S/C13H17N3O/c14-8-12-7-11(4-5-15-12)16-9-10-2-1-3-13(17)6-10/h4-5,7,10,13,17H,1-3,6,9H2,(H,15,16)
InChIKeyZRQNBZLYLFZNNP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds3

About 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile

4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile (PubChem CID 106129313) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
PubChem CID106129313
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NCC2CCCC(O)C2)ccn1
InChIInChI=1S/C13H17N3O/c14-8-12-7-11(4-5-15-12)16-9-10-2-1-3-13(17)6-10/h4-5,7,10,13,17H,1-3,6,9H2,(H,15,16)
InChIKeyZRQNBZLYLFZNNP-UHFFFAOYSA-N
XLogP1.92
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)cyclohexyl]methylamino]pyridine-2-carbonitrile
CID 114231608
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138027
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 115487752
2-[(3-hydroxycyclohexyl)methylamino]-4-methylbenzonitrile
CID 114147390
2-[(3-hydroxycyclohexyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 103878080
3-chloro-4-[(3-hydroxycyclohexyl)methylamino]benzonitrile
CID 114147400
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 106136057
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
3-[[(4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114147342

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile (CID 106129313) is 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile is N#Cc1cc(NCC2CCCC(O)C2)ccn1.
What is the InChIKey of 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is ZRQNBZLYLFZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-8-12-7-11(4-5-15-12)16-9-10-2-1-3-13(17)6-10/h4-5,7,10,13,17H,1-3,6,9H2,(H,15,16).
What are the key properties of 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile?
4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclohexyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 106129313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).