(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile

C10H9N5 — CID 10750496

IUPAC(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile
SMILESN#C/C(N)=C(\C#N)NCc1ccccn1
InChIInChI=1S/C10H9N5/c11-5-9(13)10(6-12)15-7-8-3-1-2-4-14-8/h1-4,15H,7,13H2/b10-9-
InChIKeyRJIFHKPKELCBAG-KTKRTIGZSA-N
MW199.22 g/mol
LogP0.39
Rot. Bonds3

About (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile

(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile (PubChem CID 10750496) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile
PubChem CID10750496
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile
SMILESN#C/C(N)=C(\C#N)NCc1ccccn1
InChIInChI=1S/C10H9N5/c11-5-9(13)10(6-12)15-7-8-3-1-2-4-14-8/h1-4,15H,7,13H2/b10-9-
InChIKeyRJIFHKPKELCBAG-KTKRTIGZSA-N
XLogP0.39
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine
CID 67323845
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 17373309
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
5-[(pyridin-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675324
N-(pyridin-2-ylmethyl)but-1-en-2-amine
CID 129060114
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile?
The IUPAC name of (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile (CID 10750496) is (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile.
What is the SMILES notation for (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile?
The canonical SMILES for (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile is N#C/C(N)=C(\C#N)NCc1ccccn1.
What is the InChIKey of (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile?
The InChIKey is RJIFHKPKELCBAG-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H9N5/c11-5-9(13)10(6-12)15-7-8-3-1-2-4-14-8/h1-4,15H,7,13H2/b10-9-.
What are the key properties of (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile?
(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile has a molecular weight of 199.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile is sourced from PubChem (CID 10750496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).