6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide

C20H30N2O4 — CID 91781826

IUPAC6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(=O)n1C
InChIInChI=1S/C20H30N2O4/c1-6-17-14(4)11-15(20(24)22(17)5)19(23)21-16-12-25-9-8-18(16)26-10-7-13(2)3/h7,11,16,18H,6,8-10,12H2,1-5H3,(H,21,23)/t16-,18+/m1/s1
InChIKeyKNSGZHXRQRSPKI-AEFFLSMTSA-N
MW362.47 g/mol
LogP2.13
Rot. Bonds6

About 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide

6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide (PubChem CID 91781826) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide
PubChem CID91781826
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(=O)n1C
InChIInChI=1S/C20H30N2O4/c1-6-17-14(4)11-15(20(24)22(17)5)19(23)21-16-12-25-9-8-18(16)26-10-7-13(2)3/h7,11,16,18H,6,8-10,12H2,1-5H3,(H,21,23)/t16-,18+/m1/s1
InChIKeyKNSGZHXRQRSPKI-AEFFLSMTSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.13
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

7-methyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 133268819
2-methyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 133260459
5,7-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91797859
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-pyrrolidin-1-ylbenzamide
CID 91767668
2-cyclopropyl-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 133267808
6-fluoro-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 133267535
5-fluoro-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91764511
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-1,3-thiazole-4-carboxamide
CID 91774050
2-cyclopropyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyrimidine-5-carboxamide
CID 91770487
4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
CID 91787921
2-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91762110
N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 133267438

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide (CID 91781826) is 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide is CCc1c(C)cc(C(=O)N[C@@H]2COCC[C@@H]2OCC=C(C)C)c(=O)n1C.
What is the InChIKey of 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide?
The InChIKey is KNSGZHXRQRSPKI-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-6-17-14(4)11-15(20(24)22(17)5)19(23)21-16-12-25-9-8-18(16)26-10-7-13(2)3/h7,11,16,18H,6,8-10,12H2,1-5H3,(H,21,23)/t16-,18+/m1/s1.
What are the key properties of 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide?
6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,5-dimethyl-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 91781826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).