3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile

C14H19N3O — CID 62894414

IUPAC3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNC1(CO)CCCCC1
InChIInChI=1S/C14H19N3O/c15-9-13-12(5-4-8-16-13)10-17-14(11-18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,10-11H2
InChIKeyCKSRVPMIPVAOKD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.74
Rot. Bonds4

About 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile

3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile (PubChem CID 62894414) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile
PubChem CID62894414
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNC1(CO)CCCCC1
InChIInChI=1S/C14H19N3O/c15-9-13-12(5-4-8-16-13)10-17-14(11-18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,10-11H2
InChIKeyCKSRVPMIPVAOKD-UHFFFAOYSA-N
XLogP1.74
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile
CID 113350351
3-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]pyridine-2-carbonitrile
CID 106212165
[1-[(2-chloro-3-pyridinyl)methylamino]cyclopropyl]methanol
CID 115762962
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile
CID 79871903
(2R)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83193919
(2S)-2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 83191619
2-[(2-cyano-3-pyridinyl)methylamino]propanoic acid
CID 62893418
5-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]thiophene-2-carbonitrile
CID 115909562
[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol
CID 79984076
3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
CID 107317244
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile (CID 62894414) is 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNC1(CO)CCCCC1.
What is the InChIKey of 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile?
The InChIKey is CKSRVPMIPVAOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-13-12(5-4-8-16-13)10-17-14(11-18)6-2-1-3-7-14/h4-5,8,17-18H,1-3,6-7,10-11H2.
What are the key properties of 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile?
3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).