(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine

C13H16N2 — CID 138601574

IUPAC(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
SMILESC=C/C=C\C=c1\c(NCC)ccnc1=C
InChIInChI=1S/C13H16N2/c1-4-6-7-8-12-11(3)15-10-9-13(12)14-5-2/h4,6-10,14H,1,3,5H2,2H3/b7-6-,12-8+
InChIKeyZBTSVEFOCOJIHS-UGLNBITBSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds4

About (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine

(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine (PubChem CID 138601574) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
PubChem CID138601574
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine
SMILESC=C/C=C\C=c1\c(NCC)ccnc1=C
InChIInChI=1S/C13H16N2/c1-4-6-7-8-12-11(3)15-10-9-13(12)14-5-2/h4,6-10,14H,1,3,5H2,2H3/b7-6-,12-8+
InChIKeyZBTSVEFOCOJIHS-UGLNBITBSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrido[3,2-c]azepine
CID 129706333
(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(3E,5Z)-N,N-diethyl-5-[6-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-1,2-dihydropyridin-3-ylidene]penta-1,3-dien-3-amine
CID 173518248
N'-[4-(fluoromethyl)-2,7-dihydroazocin-5-yl]-N,N'-dimethylpropane-1,3-diamine
CID 174194532
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
praseodymium;6-(1,2,3,6-tetrahydropyridin-5-yl)-2H-pyridin-2-ide
CID 57980781
6,7-Dihydro-1,7-naphthyridine
CID 58988416
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
5-Methyl-6,8a-dihydro-1,6-naphthyridine
CID 67593832
N-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)methanimine
CID 70267946

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine?
The IUPAC name of (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine (CID 138601574) is (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine.
What is the SMILES notation for (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine?
The canonical SMILES for (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine is C=C/C=C\C=c1\c(NCC)ccnc1=C.
What is the InChIKey of (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine?
The InChIKey is ZBTSVEFOCOJIHS-UGLNBITBSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-6-7-8-12-11(3)15-10-9-13(12)14-5-2/h4,6-10,14H,1,3,5H2,2H3/b7-6-,12-8+.
What are the key properties of (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine?
(3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine has a molecular weight of 200.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-2-methylidene-3-[(2Z)-penta-2,4-dienylidene]pyridin-4-amine is sourced from PubChem (CID 138601574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).