2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile

C14H19N3O — CID 136542339

IUPAC2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCC2CCCCO2)c1
InChIInChI=1S/C14H19N3O/c15-11-12-6-8-17-14(10-12)16-7-3-5-13-4-1-2-9-18-13/h6,8,10,13H,1-5,7,9H2,(H,16,17)
InChIKeyZARIJPJSVPQCRC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.71
Rot. Bonds5

About 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile

2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile (PubChem CID 136542339) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile
PubChem CID136542339
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCC2CCCCO2)c1
InChIInChI=1S/C14H19N3O/c15-11-12-6-8-17-14(10-12)16-7-3-5-13-4-1-2-9-18-13/h6,8,10,13H,1-5,7,9H2,(H,16,17)
InChIKeyZARIJPJSVPQCRC-UHFFFAOYSA-N
XLogP2.71
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile
CID 124618528
4-methyl-3-[3-(oxolan-2-yl)propylamino]benzonitrile
CID 65163795
2-(2-cyclohexyloxyethylamino)pyridine-4-carbonitrile
CID 63826491
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile
CID 63870014
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
3-N,3-N-dimethyl-2-N-[3-(oxan-2-yl)propyl]pyrazine-2,3-diamine
CID 133475804
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
2-[3-(oxolan-2-yl)propylamino]-5-(trifluoromethyl)benzonitrile
CID 115911107
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile (CID 136542339) is 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCCCC2CCCCO2)c1.
What is the InChIKey of 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile?
The InChIKey is ZARIJPJSVPQCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-12-6-8-17-14(10-12)16-7-3-5-13-4-1-2-9-18-13/h6,8,10,13H,1-5,7,9H2,(H,16,17).
What are the key properties of 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile?
2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-yl)propylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 136542339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).