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

C9H12N4 — CID 82817034

IUPAC3-amino-2-(propylamino)pyridine-4-carbonitrile
SMILESCCCNc1nccc(C#N)c1N
InChIInChI=1S/C9H12N4/c1-2-4-12-9-8(11)7(6-10)3-5-13-9/h3,5H,2,4,11H2,1H3,(H,12,13)
InChIKeySCXGJHVOIIBNOD-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds3

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

3-amino-2-(propylamino)pyridine-4-carbonitrile (PubChem CID 82817034) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-2-(propylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(propylamino)pyridine-4-carbonitrile
PubChem CID82817034
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-amino-2-(propylamino)pyridine-4-carbonitrile
SMILESCCCNc1nccc(C#N)c1N
InChIInChI=1S/C9H12N4/c1-2-4-12-9-8(11)7(6-10)3-5-13-9/h3,5H,2,4,11H2,1H3,(H,12,13)
InChIKeySCXGJHVOIIBNOD-UHFFFAOYSA-N
XLogP1.36
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(propylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(propylamino)pyridine-4-carbonitrile (CID 82817034) is 3-amino-2-(propylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(propylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(propylamino)pyridine-4-carbonitrile is CCCNc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(propylamino)pyridine-4-carbonitrile?
The InChIKey is SCXGJHVOIIBNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-4-12-9-8(11)7(6-10)3-5-13-9/h3,5H,2,4,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-2-(propylamino)pyridine-4-carbonitrile?
3-amino-2-(propylamino)pyridine-4-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(propylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).