N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one

C17H19N3O3 — CID 90777470

IUPACN-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one
SMILESC=C1C=C(NC(=O)CC)C(=O)N=C1C.C=C1C=NC(=O)C(C)=C1
InChIInChI=1S/C10H12N2O2.C7H7NO/c1-4-9(13)12-8-5-6(2)7(3)11-10(8)14;1-5-3-6(2)7(9)8-4-5/h5H,2,4H2,1,3H3,(H,12,13);3-4H,1H2,2H3
InChIKeyHKRMPWUXCPKWHP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.05
Rot. Bonds2

About N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one

N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one (PubChem CID 90777470) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one.

Molecular Properties

Compound NameN-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one
PubChem CID90777470
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one
SMILESC=C1C=C(NC(=O)CC)C(=O)N=C1C.C=C1C=NC(=O)C(C)=C1
InChIInChI=1S/C10H12N2O2.C7H7NO/c1-4-9(13)12-8-5-6(2)7(3)11-10(8)14;1-5-3-6(2)7(9)8-4-5/h5H,2,4H2,1,3H3,(H,12,13);3-4H,1H2,2H3
InChIKeyHKRMPWUXCPKWHP-UHFFFAOYSA-N
XLogP2.05
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)acetamide
CID 57823630
N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide
CID 57823727
N-(3-ethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine-6-carboxamide
CID 123154970
N-(4-acetamido-7-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6H-cyclohepta[b]pyridine-7-carboxamide
CID 139444807
(3Z,5Z)-N-[cyclopropylidene(3,4-dihydropyridin-6-yl)methyl]-2-methylidenehepta-3,5-dienamide
CID 144892239
N-(2-oxo-5-pyrrol-1-ium-3-yl-1H-pyridin-3-yl)acetamide
CID 164097193
butane;(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide
CID 167447619
(2E,4Z)-N-[(2E,4Z,6E,7E,9E)-10-acetamido-7-ethenyl-6-ethylideneundeca-2,4,7,9-tetraen-3-yl]-2-(methyliminomethyl)hexa-2,4-dienamide
CID 169690720
(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
(4Z,5Z)-4-ethylidene-N-[(E)-3-methyl-4-(propan-2-ylideneamino)but-3-en-2-yl]-5-propylidenepyridine-2-carboxamide
CID 144024722
(E)-N-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-2-methanimidoylbut-2-enamide
CID 167447620

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one?
The IUPAC name of N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one (CID 90777470) is N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one.
What is the SMILES notation for N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one?
The canonical SMILES for N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one is C=C1C=C(NC(=O)CC)C(=O)N=C1C.C=C1C=NC(=O)C(C)=C1.
What is the InChIKey of N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one?
The InChIKey is HKRMPWUXCPKWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C7H7NO/c1-4-9(13)12-8-5-6(2)7(3)11-10(8)14;1-5-3-6(2)7(9)8-4-5/h5H,2,4H2,1,3H3,(H,12,13);3-4H,1H2,2H3.
What are the key properties of N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one?
N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one has a molecular weight of 313.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-methylidene-2-oxo-3-pyridinyl)propanamide;3-methyl-5-methylidenepyridin-2-one is sourced from PubChem (CID 90777470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).