(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one

C13H16N2O — CID 143955611

IUPAC(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
SMILESC=CCC(=O)/C(C)=C(/C)Nc1cccnc1
InChIInChI=1S/C13H16N2O/c1-4-6-13(16)10(2)11(3)15-12-7-5-8-14-9-12/h4-5,7-9,15H,1,6H2,2-3H3/b11-10-
InChIKeyBZHJQGBYFCEKGY-KHPPLWFESA-N
MW216.28 g/mol
LogP2.93
Rot. Bonds5

About (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one

(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one (PubChem CID 143955611) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one.

Molecular Properties

Compound Name(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
PubChem CID143955611
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
SMILESC=CCC(=O)/C(C)=C(/C)Nc1cccnc1
InChIInChI=1S/C13H16N2O/c1-4-6-13(16)10(2)11(3)15-12-7-5-8-14-9-12/h4-5,7-9,15H,1,6H2,2-3H3/b11-10-
InChIKeyBZHJQGBYFCEKGY-KHPPLWFESA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbut-2-en-2-yl)pyridin-3-amine
CID 58929048
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
CID 47303477
(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
CID 99633361
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
(2S)-4-oxo-2-(prop-2-enylazaniumyl)-4-(pyridin-3-ylamino)butanoate
CID 7592760
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
3-(2-methylhydrazinyl)-3-oxo-N-pyridin-3-ylpropanamide
CID 129281433
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one?
The IUPAC name of (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one (CID 143955611) is (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one.
What is the SMILES notation for (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one?
The canonical SMILES for (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one is C=CCC(=O)/C(C)=C(/C)Nc1cccnc1.
What is the InChIKey of (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one?
The InChIKey is BZHJQGBYFCEKGY-KHPPLWFESA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-6-13(16)10(2)11(3)15-12-7-5-8-14-9-12/h4-5,7-9,15H,1,6H2,2-3H3/b11-10-.
What are the key properties of (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one?
(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one is sourced from PubChem (CID 143955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).