N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide

C15H20N2O3 — CID 99613534

IUPACN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2=CCCCC2)ccc1=O
InChIInChI=1S/C15H20N2O3/c1-20-10-9-17-11-13(7-8-14(17)18)16-15(19)12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,19)
InChIKeyFHJZWKQFXAFYFI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds5

About N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide (PubChem CID 99613534) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide
PubChem CID99613534
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2=CCCCC2)ccc1=O
InChIInChI=1S/C15H20N2O3/c1-20-10-9-17-11-13(7-8-14(17)18)16-15(19)12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,19)
InChIKeyFHJZWKQFXAFYFI-UHFFFAOYSA-N
XLogP1.93
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
CID 113222064
2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-3-carboxamide
CID 71968599
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680566
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pyridine-4-carboxamide
CID 66483724
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757
1-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71940975

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide (CID 99613534) is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide is COCCn1cc(NC(=O)C2=CCCCC2)ccc1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide?
The InChIKey is FHJZWKQFXAFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-10-9-17-11-13(7-8-14(17)18)16-15(19)12-5-3-2-4-6-12/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,19).
What are the key properties of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide?
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 99613534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).