(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine

C20H23N3 — CID 166797996

IUPAC(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine
SMILESC=C(C)NC(=C)/C=C(\C)c1ccc(CCc2ccccn2)nc1
InChIInChI=1S/C20H23N3/c1-15(2)23-17(4)13-16(3)18-8-9-20(22-14-18)11-10-19-7-5-6-12-21-19/h5-9,12-14,23H,1,4,10-11H2,2-3H3/b16-13+
InChIKeyXJOXPNNRIHUONE-DTQAZKPQSA-N
MW305.43 g/mol
LogP4.30
Rot. Bonds7

About (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine

(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine (PubChem CID 166797996) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine
PubChem CID166797996
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine
SMILESC=C(C)NC(=C)/C=C(\C)c1ccc(CCc2ccccn2)nc1
InChIInChI=1S/C20H23N3/c1-15(2)23-17(4)13-16(3)18-8-9-20(22-14-18)11-10-19-7-5-6-12-21-19/h5-9,12-14,23H,1,4,10-11H2,2-3H3/b16-13+
InChIKeyXJOXPNNRIHUONE-DTQAZKPQSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide
CID 143316373
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
2-(2-methylprop-2-enyl)pyridine
CID 12534227
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
2-[(Z)-5-methoxyhex-4-enyl]pyridine
CID 14312400
2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
CID 143048623
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
N-ethyl-5-pyridin-2-ylpent-1-en-3-amine
CID 105161265

Frequently Asked Questions

What is the IUPAC name of (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine (CID 166797996) is (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine is C=C(C)NC(=C)/C=C(\C)c1ccc(CCc2ccccn2)nc1.
What is the InChIKey of (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine?
The InChIKey is XJOXPNNRIHUONE-DTQAZKPQSA-N. The full InChI is InChI=1S/C20H23N3/c1-15(2)23-17(4)13-16(3)18-8-9-20(22-14-18)11-10-19-7-5-6-12-21-19/h5-9,12-14,23H,1,4,10-11H2,2-3H3/b16-13+.
What are the key properties of (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine?
(3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine has a molecular weight of 305.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-prop-1-en-2-yl-4-[6-(2-pyridin-2-ylethyl)-3-pyridinyl]penta-1,3-dien-2-amine is sourced from PubChem (CID 166797996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).