3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile

C15H16N4 — CID 43132705

IUPAC3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)c1cccc(N)c1
InChIInChI=1S/C15H16N4/c16-7-3-9-19(12-13-4-2-8-18-11-13)15-6-1-5-14(17)10-15/h1-2,4-6,8,10-11H,3,9,12,17H2
InChIKeyGQAHPZZBHLSGTP-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.58
Rot. Bonds5

About 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile

3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile (PubChem CID 43132705) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile.

Molecular Properties

Compound Name3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
PubChem CID43132705
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
SMILESN#CCCN(Cc1cccnc1)c1cccc(N)c1
InChIInChI=1S/C15H16N4/c16-7-3-9-19(12-13-4-2-8-18-11-13)15-6-1-5-14(17)10-15/h1-2,4-6,8,10-11H,3,9,12,17H2
InChIKeyGQAHPZZBHLSGTP-UHFFFAOYSA-N
XLogP2.58
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(6-aminopyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80754888
3-[4-(chloromethyl)-3-methyl-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 62129965
3-[1-(3-aminophenyl)ethyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61263859
3-[(5-amino-1H-pyrazol-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114991577
3-[(5,6-diamino-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79822623
3-[[5-(ethylamino)-3-pyridinyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 104532059
3-[(3-amino-5-bromo-2-pyridinyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 61227873
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-5-fluorobenzonitrile
CID 63669035
3-[(4-amino-1-methylpyrazol-3-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 103077826
3-[(6-hydrazinylpyrimidin-4-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80916650
3-[2-(chloromethyl)-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 28946190

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile?
The IUPAC name of 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile (CID 43132705) is 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile.
What is the SMILES notation for 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile?
The canonical SMILES for 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile is N#CCCN(Cc1cccnc1)c1cccc(N)c1.
What is the InChIKey of 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile?
The InChIKey is GQAHPZZBHLSGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-7-3-9-19(12-13-4-2-8-18-11-13)15-6-1-5-14(17)10-15/h1-2,4-6,8,10-11H,3,9,12,17H2.
What are the key properties of 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile?
3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile has a molecular weight of 252.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile is sourced from PubChem (CID 43132705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).