(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine

C20H21N5 — CID 67323845

IUPAC(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine
SMILESN/C(Cc1ccccn1)=C(\Cc1ccccn1)NCc1ccccn1
InChIInChI=1S/C20H21N5/c21-19(13-16-7-1-4-10-22-16)20(14-17-8-2-5-11-23-17)25-15-18-9-3-6-12-24-18/h1-12,25H,13-15,21H2/b20-19+
InChIKeyUAJMDPJKUBAQHV-FMQUCBEESA-N
MW331.42 g/mol
LogP2.62
Rot. Bonds7

About (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine

(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine (PubChem CID 67323845) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine
PubChem CID67323845
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine
SMILESN/C(Cc1ccccn1)=C(\Cc1ccccn1)NCc1ccccn1
InChIInChI=1S/C20H21N5/c21-19(13-16-7-1-4-10-22-16)20(14-17-8-2-5-11-23-17)25-15-18-9-3-6-12-24-18/h1-12,25H,13-15,21H2/b20-19+
InChIKeyUAJMDPJKUBAQHV-FMQUCBEESA-N
XLogP2.62
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
(Z)-2-amino-3-(pyridin-2-ylmethylamino)but-2-enedinitrile
CID 10750496
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
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
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine?
The IUPAC name of (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine (CID 67323845) is (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine.
What is the SMILES notation for (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine?
The canonical SMILES for (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine is N/C(Cc1ccccn1)=C(\Cc1ccccn1)NCc1ccccn1.
What is the InChIKey of (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine?
The InChIKey is UAJMDPJKUBAQHV-FMQUCBEESA-N. The full InChI is InChI=1S/C20H21N5/c21-19(13-16-7-1-4-10-22-16)20(14-17-8-2-5-11-23-17)25-15-18-9-3-6-12-24-18/h1-12,25H,13-15,21H2/b20-19+.
What are the key properties of (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine?
(E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine has a molecular weight of 331.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dipyridin-2-yl-3-N-(pyridin-2-ylmethyl)but-2-ene-2,3-diamine is sourced from PubChem (CID 67323845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).