5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile

C14H19N3 — CID 103736388

IUPAC5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCCC2CCCC2)cn1
InChIInChI=1S/C14H19N3/c15-10-13-7-8-14(11-17-13)16-9-3-6-12-4-1-2-5-12/h7-8,11-12,16H,1-6,9H2
InChIKeyDXCJIGOOOFMYCR-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.34
Rot. Bonds5

About 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile

5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile (PubChem CID 103736388) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
PubChem CID103736388
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCCC2CCCC2)cn1
InChIInChI=1S/C14H19N3/c15-10-13-7-8-14(11-17-13)16-9-3-6-12-4-1-2-5-12/h7-8,11-12,16H,1-6,9H2
InChIKeyDXCJIGOOOFMYCR-UHFFFAOYSA-N
XLogP3.34
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
4-(3-cyclopentylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 106011514
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
CID 115487217
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155
5-(cyclohexylmethoxy)pyridine-2-carbonitrile
CID 115487982
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103837573

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile (CID 103736388) is 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile is N#Cc1ccc(NCCCC2CCCC2)cn1.
What is the InChIKey of 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile?
The InChIKey is DXCJIGOOOFMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-13-7-8-14(11-17-13)16-9-3-6-12-4-1-2-5-12/h7-8,11-12,16H,1-6,9H2.
What are the key properties of 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile?
5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).