4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile

C15H15N3 — CID 70671232

IUPAC4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile
SMILESCCC(N)c1ccc(-c2ccc(C#N)cc2)nc1
InChIInChI=1S/C15H15N3/c1-2-14(17)13-7-8-15(18-10-13)12-5-3-11(9-16)4-6-12/h3-8,10,14H,2,17H2,1H3
InChIKeyMVUNKHNITALQBX-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.03
Rot. Bonds3

About 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile

4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile (PubChem CID 70671232) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile
PubChem CID70671232
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile
SMILESCCC(N)c1ccc(-c2ccc(C#N)cc2)nc1
InChIInChI=1S/C15H15N3/c1-2-14(17)13-7-8-15(18-10-13)12-5-3-11(9-16)4-6-12/h3-8,10,14H,2,17H2,1H3
InChIKeyMVUNKHNITALQBX-UHFFFAOYSA-N
XLogP3.03
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
CID 19842018
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752
4-[5-(2-aminocyclopropyl)-2-pyridinyl]benzonitrile
CID 66714660
5-[(1S)-1-aminopropyl]-N-ethyl-N-methylpyridin-2-amine
CID 124502810
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
4-(1-amino-2-trimethylsilylethyl)benzonitrile
CID 67325387
4-[1-(4-cyanophenyl)propyl]benzonitrile
CID 143564661
5-[6-(4-cyanophenyl)-3-pyridinyl]pyrazine-2-carbonitrile
CID 67751358
6-[4-[2-(4-pentylphenyl)ethyl]phenyl]pyridine-3-carbonitrile
CID 19842065
6-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 3129237

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile (CID 70671232) is 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile is CCC(N)c1ccc(-c2ccc(C#N)cc2)nc1.
What is the InChIKey of 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile?
The InChIKey is MVUNKHNITALQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-14(17)13-7-8-15(18-10-13)12-5-3-11(9-16)4-6-12/h3-8,10,14H,2,17H2,1H3.
What are the key properties of 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile?
4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-aminopropyl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 70671232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).