2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

C14H18N2O2S — CID 126624199

IUPAC2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESCN(c1cc2c(s1)CCNC2=O)C1CCC(=O)CC1
InChIInChI=1S/C14H18N2O2S/c1-16(9-2-4-10(17)5-3-9)13-8-11-12(19-13)6-7-15-14(11)18/h8-9H,2-7H2,1H3,(H,15,18)
InChIKeyLBGVIELJWPEKPN-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds2

About 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 126624199) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
PubChem CID126624199
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESCN(c1cc2c(s1)CCNC2=O)C1CCC(=O)CC1
InChIInChI=1S/C14H18N2O2S/c1-16(9-2-4-10(17)5-3-9)13-8-11-12(19-13)6-7-15-14(11)18/h8-9H,2-7H2,1H3,(H,15,18)
InChIKeyLBGVIELJWPEKPN-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one with MolForge

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Related Compounds

N-cyclohexyl-1-[[3-[(5-methylthiophene-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705034
4-Phenyl-5-piperidino-N~2~-propyl-2-thiophenecarboxamide
CID 20940443
5-(piperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 44480858
N-Cyclohexyl-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53014818
N-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135512
N-Benzyl-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53014817
N~2~-cycloheptyl-7-methyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53014820
N-(3-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53165436
N-[(4-Fluorophenyl)methyl]-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53165446
N-(2-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53165448
N-[(3,5-Difluorophenyl)methyl]-7-methyl-4H,5H,6H,7H-thieno[2,3-B]pyridine-2-carboxamide
CID 53165449
7-ethyl-N-(3-fluorobenzyl)-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53165467

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (CID 126624199) is 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is CN(c1cc2c(s1)CCNC2=O)C1CCC(=O)CC1.
What is the InChIKey of 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is LBGVIELJWPEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-16(9-2-4-10(17)5-3-9)13-8-11-12(19-13)6-7-15-14(11)18/h8-9H,2-7H2,1H3,(H,15,18).
What are the key properties of 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 278.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 126624199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).