4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide

C16H23N3O2 — CID 123542870

IUPAC4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide
SMILESC=C(C=C(C)C(Nc1cccn(C)c1=O)C(C)C)C(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(2)14(11(3)9-12(4)15(17)20)18-13-7-6-8-19(5)16(13)21/h6-10,14,18H,4H2,1-3,5H3,(H2,17,20)
InChIKeyGRQQNCNYLQKOTQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.81
Rot. Bonds6

About 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide

4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide (PubChem CID 123542870) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide.

Molecular Properties

Compound Name4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide
PubChem CID123542870
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide
SMILESC=C(C=C(C)C(Nc1cccn(C)c1=O)C(C)C)C(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(2)14(11(3)9-12(4)15(17)20)18-13-7-6-8-19(5)16(13)21/h6-10,14,18H,4H2,1-3,5H3,(H2,17,20)
InChIKeyGRQQNCNYLQKOTQ-UHFFFAOYSA-N
XLogP1.81
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 164636706
(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 171359526
N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
CID 123350589
4-[(5Z)-4-ethenyl-5-ethylidene-3-[(1Z)-4-(fluoromethyl)penta-1,4-dienyl]-2-methyl-6-oxopyrazin-1-yl]-N-ethylbutanamide
CID 166885952
2-[(3S,4R)-4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 168877668
2-[(3S,4S)-4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 168877669
2-[4-fluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 175468537
N-(2-methyl-4-oxopentan-3-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86925001
2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide
CID 156728380
3,6-dimethyl-7-propan-2-yl-3,4-dihydro-1H-1,7-naphthyridine-2,8-dione
CID 18726922
2-amino-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589518
2-amino-N-[(2S)-1-[[3-(2-methylpropyl)-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide
CID 20589520

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide?
The IUPAC name of 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide (CID 123542870) is 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide.
What is the SMILES notation for 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide?
The canonical SMILES for 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide is C=C(C=C(C)C(Nc1cccn(C)c1=O)C(C)C)C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide?
The InChIKey is GRQQNCNYLQKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)14(11(3)9-12(4)15(17)20)18-13-7-6-8-19(5)16(13)21/h6-10,14,18H,4H2,1-3,5H3,(H2,17,20).
What are the key properties of 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide?
4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide has a molecular weight of 289.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-methylidene-5-[(1-methyl-2-oxo-3-pyridinyl)amino]hept-3-enamide is sourced from PubChem (CID 123542870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).