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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Related Compounds

(1Z,3E)-3-(3-methyl-5-pyridin-4-ylphenyl)penta-1,3-dien-1-amine
CID 144902551
N-[(1Z,3E)-3-[3-[6-(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]penta-1,3-dienyl]methanimine
CID 126611550
3-methoxy-5-pyridin-4-ylaniline
CID 71490877
acetylene;3-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-6-[3-(methylamino)phenyl]-2-pyridinyl]aniline
CID 143239809
acetylene;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4,6-dipyridin-4-ylpyridine
CID 144765722
3-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]-5-pyrimidin-5-ylaniline
CID 155394269
(1Z,3E)-3-[7-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-3,6,10,11-tetrapyridin-4-yltriphenylen-2-yl]penta-1,3-dien-1-amine
CID 144568528
3-pyridin-4-yl-5-(trifluoromethyl)aniline
CID 46317180
bis(3,5-dipyridin-4-ylphenyl)methanone
CID 58240129
1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-N-methylethenamine
CID 144892717
ethane;4-pyridin-4-ylpyridine
CID 142013036
3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline
CID 146237581

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).