3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile

C11H13N3 — CID 130678810

IUPAC3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCC(Nc2cccnc2)C1
InChIInChI=1S/C11H13N3/c12-7-9-3-4-10(6-9)14-11-2-1-5-13-8-11/h1-2,5,8-10,14H,3-4,6H2
InChIKeyBRMYRNYSEINNSU-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.19
Rot. Bonds2

About 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile

3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile (PubChem CID 130678810) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile
PubChem CID130678810
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCC(Nc2cccnc2)C1
InChIInChI=1S/C11H13N3/c12-7-9-3-4-10(6-9)14-11-2-1-5-13-8-11/h1-2,5,8-10,14H,3-4,6H2
InChIKeyBRMYRNYSEINNSU-UHFFFAOYSA-N
XLogP2.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile (CID 130678810) is 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile is N#CC1CCC(Nc2cccnc2)C1.
What is the InChIKey of 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is BRMYRNYSEINNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-7-9-3-4-10(6-9)14-11-2-1-5-13-8-11/h1-2,5,8-10,14H,3-4,6H2.
What are the key properties of 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile?
3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 130678810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).