3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile

C12H16N4 — CID 82817445

IUPAC3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CCCC2)c1N
InChIInChI=1S/C12H16N4/c13-7-10-5-6-15-12(11(10)14)16-8-9-3-1-2-4-9/h5-6,9H,1-4,8,14H2,(H,15,16)
InChIKeyLYLCOCYHWWYBHI-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile

3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile (PubChem CID 82817445) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
PubChem CID82817445
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CCCC2)c1N
InChIInChI=1S/C12H16N4/c13-7-10-5-6-15-12(11(10)14)16-8-9-3-1-2-4-9/h5-6,9H,1-4,8,14H2,(H,15,16)
InChIKeyLYLCOCYHWWYBHI-UHFFFAOYSA-N
XLogP2.14
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
CID 113394617
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile (CID 82817445) is 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCC2CCCC2)c1N.
What is the InChIKey of 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile?
The InChIKey is LYLCOCYHWWYBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-7-10-5-6-15-12(11(10)14)16-8-9-3-1-2-4-9/h5-6,9H,1-4,8,14H2,(H,15,16).
What are the key properties of 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile?
3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).