3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline

C17H19N3 — CID 144834762

IUPAC3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline
SMILESC/C=C(\C=C/NC)c1cc(N)cc(-c2ccncc2)c1
InChIInChI=1S/C17H19N3/c1-3-13(4-7-19-2)15-10-16(12-17(18)11-15)14-5-8-20-9-6-14/h3-12,19H,18H2,1-2H3/b7-4-,13-3+
InChIKeyBBIIPNKVNLGZJC-TXPQKOLZSA-N
MW265.36 g/mol
LogP3.47
Rot. Bonds4

About 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline

3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline (PubChem CID 144834762) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline.

Molecular Properties

Compound Name3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline
PubChem CID144834762
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline
SMILESC/C=C(\C=C/NC)c1cc(N)cc(-c2ccncc2)c1
InChIInChI=1S/C17H19N3/c1-3-13(4-7-19-2)15-10-16(12-17(18)11-15)14-5-8-20-9-6-14/h3-12,19H,18H2,1-2H3/b7-4-,13-3+
InChIKeyBBIIPNKVNLGZJC-TXPQKOLZSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline?
The IUPAC name of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline (CID 144834762) is 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline.
What is the SMILES notation for 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline?
The canonical SMILES for 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline is C/C=C(\C=C/NC)c1cc(N)cc(-c2ccncc2)c1.
What is the InChIKey of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline?
The InChIKey is BBIIPNKVNLGZJC-TXPQKOLZSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-13(4-7-19-2)15-10-16(12-17(18)11-15)14-5-8-20-9-6-14/h3-12,19H,18H2,1-2H3/b7-4-,13-3+.
What are the key properties of 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline?
3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-5-pyridin-4-ylaniline is sourced from PubChem (CID 144834762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).