1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide

C18H23N3O2 — CID 142200336

IUPAC1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide
SMILESC=C/N=C(\C=C/C)c1ccc(C(C)=O)cn1.CC(=O)N=C(C)C
InChIInChI=1S/C13H14N2O.C5H9NO/c1-4-6-12(14-5-2)13-8-7-11(9-15-13)10(3)16;1-4(2)6-5(3)7/h4-9H,2H2,1,3H3;1-3H3/b6-4-,14-12+;
InChIKeyPHWYSXVUGIYMTA-NANXOVORSA-N
MW313.40 g/mol
LogP3.81
Rot. Bonds4

About 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide

1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide (PubChem CID 142200336) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide.

Molecular Properties

Compound Name1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide
PubChem CID142200336
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide
SMILESC=C/N=C(\C=C/C)c1ccc(C(C)=O)cn1.CC(=O)N=C(C)C
InChIInChI=1S/C13H14N2O.C5H9NO/c1-4-6-12(14-5-2)13-8-7-11(9-15-13)10(3)16;1-4(2)6-5(3)7/h4-9H,2H2,1,3H3;1-3H3/b6-4-,14-12+;
InChIKeyPHWYSXVUGIYMTA-NANXOVORSA-N
XLogP3.81
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide 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

1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
CID 45086200
2-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]quinolin-8-amine
CID 163634929
6-acetylpyridine-3-carboxylic acid
CID 22323784
ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
CID 142201812
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
1-(6-iodo-3-pyridinyl)ethanone
CID 23591882
N-[1-(5-acetyl-2-pyridinyl)ethylidene]-N'-methylmethanimidamide;(2E,4Z)-6-methylidene-2-propan-2-yloxyocta-2,4-diene
CID 144950632
1-[6-(1,1-difluoroethyl)-3-pyridinyl]ethanone
CID 126484044
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
CID 156787267
1-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxyphenyl]ethanone
CID 139496919

Frequently Asked Questions

What is the IUPAC name of 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide?
The IUPAC name of 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide (CID 142200336) is 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide.
What is the SMILES notation for 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide?
The canonical SMILES for 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide is C=C/N=C(\C=C/C)c1ccc(C(C)=O)cn1.CC(=O)N=C(C)C.
What is the InChIKey of 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide?
The InChIKey is PHWYSXVUGIYMTA-NANXOVORSA-N. The full InChI is InChI=1S/C13H14N2O.C5H9NO/c1-4-6-12(14-5-2)13-8-7-11(9-15-13)10(3)16;1-4(2)6-5(3)7/h4-9H,2H2,1,3H3;1-3H3/b6-4-,14-12+;.
What are the key properties of 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide?
1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-3-pyridinyl]ethanone;N-propan-2-ylideneacetamide is sourced from PubChem (CID 142200336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).