(2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile

C19H17N3 — CID 144776287

IUPAC(2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile
SMILESC=C/C(=C(/C#N)NC)c1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C19H17N3/c1-3-18(19(14-20)21-2)16-8-6-7-15(13-16)10-11-17-9-4-5-12-22-17/h3-13,21H,1H2,2H3/b11-10+,19-18+
InChIKeyYSUNGOQRKRYGRM-ZSTJXTSSSA-N
MW287.37 g/mol
LogP3.89
Rot. Bonds5

About (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile

(2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile (PubChem CID 144776287) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile
PubChem CID144776287
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name(2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile
SMILESC=C/C(=C(/C#N)NC)c1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C19H17N3/c1-3-18(19(14-20)21-2)16-8-6-7-15(13-16)10-11-17-9-4-5-12-22-17/h3-13,21H,1H2,2H3/b11-10+,19-18+
InChIKeyYSUNGOQRKRYGRM-ZSTJXTSSSA-N
XLogP3.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile?
The IUPAC name of (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile (CID 144776287) is (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile?
The canonical SMILES for (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile is C=C/C(=C(/C#N)NC)c1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile?
The InChIKey is YSUNGOQRKRYGRM-ZSTJXTSSSA-N. The full InChI is InChI=1S/C19H17N3/c1-3-18(19(14-20)21-2)16-8-6-7-15(13-16)10-11-17-9-4-5-12-22-17/h3-13,21H,1H2,2H3/b11-10+,19-18+.
What are the key properties of (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile?
(2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile has a molecular weight of 287.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methylamino)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]penta-2,4-dienenitrile is sourced from PubChem (CID 144776287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).