4-(3-amino-4-pyridinyl)but-3-enenitrile

C9H9N3 — CID 170799112

IUPAC4-(3-amino-4-pyridinyl)but-3-enenitrile
SMILESN#CCC=Cc1ccncc1N
InChIInChI=1S/C9H9N3/c10-5-2-1-3-8-4-6-12-7-9(8)11/h1,3-4,6-7H,2,11H2
InChIKeyBCOQYYFNKDAIQS-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.59
Rot. Bonds2

About 4-(3-amino-4-pyridinyl)but-3-enenitrile

4-(3-amino-4-pyridinyl)but-3-enenitrile (PubChem CID 170799112) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-(3-amino-4-pyridinyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(3-amino-4-pyridinyl)but-3-enenitrile
PubChem CID170799112
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-(3-amino-4-pyridinyl)but-3-enenitrile
SMILESN#CCC=Cc1ccncc1N
InChIInChI=1S/C9H9N3/c10-5-2-1-3-8-4-6-12-7-9(8)11/h1,3-4,6-7H,2,11H2
InChIKeyBCOQYYFNKDAIQS-UHFFFAOYSA-N
XLogP1.59
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-pyridinyl)but-3-enenitrile
CID 170799142
3-(3-amino-4-pyridinyl)prop-2-en-1-ol
CID 169452853
4-(3-amino-4-pyridinyl)but-3-enoic acid
CID 170483035
4-pyridin-3-ylbut-3-enenitrile
CID 170799077
4-isoquinolin-6-ylbut-3-enenitrile
CID 170799874
4-(6-amino-4-methyl-3-pyridinyl)but-3-enenitrile
CID 170799339
4-(5-amino-2-chloro-3-pyridinyl)but-3-enenitrile
CID 170799310
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
4-(methyliminomethyl)pyridin-3-amine
CID 90929326
4-(2-bromo-3-pyridinyl)but-3-enenitrile
CID 170800714
4-(2-chlorothiophen-3-yl)but-3-enenitrile
CID 170799063
4-[2-(aminomethyl)phenyl]but-3-enenitrile
CID 170799386

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-pyridinyl)but-3-enenitrile?
The IUPAC name of 4-(3-amino-4-pyridinyl)but-3-enenitrile (CID 170799112) is 4-(3-amino-4-pyridinyl)but-3-enenitrile.
What is the SMILES notation for 4-(3-amino-4-pyridinyl)but-3-enenitrile?
The canonical SMILES for 4-(3-amino-4-pyridinyl)but-3-enenitrile is N#CCC=Cc1ccncc1N.
What is the InChIKey of 4-(3-amino-4-pyridinyl)but-3-enenitrile?
The InChIKey is BCOQYYFNKDAIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-5-2-1-3-8-4-6-12-7-9(8)11/h1,3-4,6-7H,2,11H2.
What are the key properties of 4-(3-amino-4-pyridinyl)but-3-enenitrile?
4-(3-amino-4-pyridinyl)but-3-enenitrile has a molecular weight of 159.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-pyridinyl)but-3-enenitrile is sourced from PubChem (CID 170799112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).