3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile

C12H17N3O — CID 107317244

IUPAC3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCCCCO
InChIInChI=1S/C12H17N3O/c13-9-12-11(5-4-7-15-12)10-14-6-2-1-3-8-16/h4-5,7,14,16H,1-3,6,8,10H2
InChIKeyGKJCUALYWKSJFF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.21
Rot. Bonds7

About 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile

3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile (PubChem CID 107317244) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
PubChem CID107317244
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCCCCO
InChIInChI=1S/C12H17N3O/c13-9-12-11(5-4-7-15-12)10-14-6-2-1-3-8-16/h4-5,7,14,16H,1-3,6,8,10H2
InChIKeyGKJCUALYWKSJFF-UHFFFAOYSA-N
XLogP1.21
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]pyridine-2-carbonitrile
CID 66090692
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530
3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
CID 62893680
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[(3-methylbut-2-enylamino)methyl]pyridine-2-carbonitrile
CID 106188268
2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile (CID 107317244) is 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNCCCCCO.
What is the InChIKey of 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is GKJCUALYWKSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-9-12-11(5-4-7-15-12)10-14-6-2-1-3-8-16/h4-5,7,14,16H,1-3,6,8,10H2.
What are the key properties of 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile?
3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107317244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).