(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide

C17H20N2O — CID 144892239

IUPAC(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NC(C1=CCCC=N1)=C1CC1
InChIInChI=1S/C17H20N2O/c1-3-4-5-8-13(2)17(20)19-16(14-10-11-14)15-9-6-7-12-18-15/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,20)/b4-3-,8-5-
InChIKeySTVVISPSSSTOLL-UBNNFMAXSA-N
MW268.36 g/mol
LogP3.59
Rot. Bonds5

About (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide

(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide (PubChem CID 144892239) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide
PubChem CID144892239
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide
SMILESC=C(/C=C\C=C/C)C(=O)NC(C1=CCCC=N1)=C1CC1
InChIInChI=1S/C17H20N2O/c1-3-4-5-8-13(2)17(20)19-16(14-10-11-14)15-9-6-7-12-18-15/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,20)/b4-3-,8-5-
InChIKeySTVVISPSSSTOLL-UBNNFMAXSA-N
XLogP3.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one
CID 90777470
N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
CID 123154970
ethane;(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide
CID 164526353
(2E)-N-[(3Z,5Z)-5-cyclopropylhepta-1,3,5-trien-2-yl]-2-[(ethylideneamino)methylidene]but-3-enamide
CID 166645558
(2E,4Z)-N-[(3E,5E,7E,9E)-10-acetamido-6,7-bis(ethenyl)dodeca-1,3,5,7,9,11-hexaen-3-yl]-2-(methyliminomethyl)hexa-2,4-dienamide
CID 169690736
(E)-N-[(2E,4Z)-6-(2,3-dimethyl-2,3-dihydropyridin-5-yl)-4-[(Z)-1-ethenylprop-1-enyl]hepta-2,4,6-trien-2-yl]-2-methanimidoylbut-2-enamide
CID 142583891
(E,2E)-2-ethylidene-4-methyl-N-[(Z)-2-(propylideneamino)but-2-enyl]hex-3-enamide
CID 164526354

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide (CID 144892239) is (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide is C=C(/C=C\C=C/C)C(=O)NC(C1=CCCC=N1)=C1CC1.
What is the InChIKey of (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide?
The InChIKey is STVVISPSSSTOLL-UBNNFMAXSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-4-5-8-13(2)17(20)19-16(14-10-11-14)15-9-6-7-12-18-15/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,20)/b4-3-,8-5-.
What are the key properties of (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide?
(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide has a molecular weight of 268.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide is sourced from PubChem (CID 144892239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).