1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide

C18H27N3O3 — CID 56710225

IUPAC1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)=CCN1CCOC(CCNC(=O)c2cccn(C)c2=O)C1
InChIInChI=1S/C18H27N3O3/c1-14(2)7-10-21-11-12-24-15(13-21)6-8-19-17(22)16-5-4-9-20(3)18(16)23/h4-5,7,9,15H,6,8,10-13H2,1-3H3,(H,19,22)
InChIKeyQOBIKAJPZUKOLO-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.17
Rot. Bonds6

About 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 56710225) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
PubChem CID56710225
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)=CCN1CCOC(CCNC(=O)c2cccn(C)c2=O)C1
InChIInChI=1S/C18H27N3O3/c1-14(2)7-10-21-11-12-24-15(13-21)6-8-19-17(22)16-5-4-9-20(3)18(16)23/h4-5,7,9,15H,6,8,10-13H2,1-3H3,(H,19,22)
InChIKeyQOBIKAJPZUKOLO-UHFFFAOYSA-N
XLogP1.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
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N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
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N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 125166643
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 90635122
2-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709826
2-(bromomethyl)-4-(3-methylbut-2-enyl)morpholine
CID 107901151
8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
CID 120535591
2,2-dimethyl-N-[2-[4-[(E)-2-methylbut-2-enyl]morpholin-2-yl]ethyl]propanamide
CID 56720862
N-[2-(4-ethylmorpholin-2-yl)ethyl]-3-oxo-4H-quinoxaline-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide (CID 56710225) is 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide is CC(C)=CCN1CCOC(CCNC(=O)c2cccn(C)c2=O)C1.
What is the InChIKey of 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is QOBIKAJPZUKOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(2)7-10-21-11-12-24-15(13-21)6-8-19-17(22)16-5-4-9-20(3)18(16)23/h4-5,7,9,15H,6,8,10-13H2,1-3H3,(H,19,22).
What are the key properties of 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-(3-methylbut-2-enyl)morpholin-2-yl]ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56710225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).