3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile

C14H21N5 — CID 82816660

IUPAC3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(CN1CCCCC1)Nc1nccc(C#N)c1N
InChIInChI=1S/C14H21N5/c1-11(10-19-7-3-2-4-8-19)18-14-13(16)12(9-15)5-6-17-14/h5-6,11H,2-4,7-8,10,16H2,1H3,(H,17,18)
InChIKeyQDHHVLJKEHYVML-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile

3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 82816660) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
PubChem CID82816660
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(CN1CCCCC1)Nc1nccc(C#N)c1N
InChIInChI=1S/C14H21N5/c1-11(10-19-7-3-2-4-8-19)18-14-13(16)12(9-15)5-6-17-14/h5-6,11H,2-4,7-8,10,16H2,1H3,(H,17,18)
InChIKeyQDHHVLJKEHYVML-UHFFFAOYSA-N
XLogP1.82
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(1-piperidin-1-ylpropan-2-ylamino)benzonitrile
CID 104716480
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711380
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723
4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
CID 103000719
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 82817603
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
4-amino-3-(1-pyrrolidin-1-ylpropan-2-ylamino)benzonitrile
CID 104711678

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile (CID 82816660) is 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile is CC(CN1CCCCC1)Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is QDHHVLJKEHYVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(10-19-7-3-2-4-8-19)18-14-13(16)12(9-15)5-6-17-14/h5-6,11H,2-4,7-8,10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile?
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).