3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile

C12H17N5 — CID 82817159

IUPAC3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCN2CCCC2)c1N
InChIInChI=1S/C12H17N5/c13-9-10-3-4-15-12(11(10)14)16-5-8-17-6-1-2-7-17/h3-4H,1-2,5-8,14H2,(H,15,16)
InChIKeyNYIFKPDRFUJWDA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds4

About 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile

3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile (PubChem CID 82817159) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
PubChem CID82817159
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCN2CCCC2)c1N
InChIInChI=1S/C12H17N5/c13-9-10-3-4-15-12(11(10)14)16-5-8-17-6-1-2-7-17/h3-4H,1-2,5-8,14H2,(H,15,16)
InChIKeyNYIFKPDRFUJWDA-UHFFFAOYSA-N
XLogP1.04
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile
CID 114173737
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
2-amino-3-(2-pyrrolidin-1-ylethylamino)benzonitrile
CID 104716677
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile (CID 82817159) is 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCN2CCCC2)c1N.
What is the InChIKey of 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is NYIFKPDRFUJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-9-10-3-4-15-12(11(10)14)16-5-8-17-6-1-2-7-17/h3-4H,1-2,5-8,14H2,(H,15,16).
What are the key properties of 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).