2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide

C14H18N2O4 — CID 4553699

IUPAC2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H18N2O4/c1-8-7-11(17)20-9(2)12(8)14(19)16-10-5-3-4-6-15-13(10)18/h7,10H,3-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLTDATRBWIRCBDX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.66
Rot. Bonds2

About 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide (PubChem CID 4553699) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
PubChem CID4553699
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H18N2O4/c1-8-7-11(17)20-9(2)12(8)14(19)16-10-5-3-4-6-15-13(10)18/h7,10H,3-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLTDATRBWIRCBDX-UHFFFAOYSA-N
XLogP0.66
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 95120272
6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
CID 95122255
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71937894
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 99950380
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
1-[2-methyl-5-[[(3R)-2-oxoazepan-3-yl]carbamoylamino]phenyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 51961629
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide (CID 4553699) is 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide?
The InChIKey is LTDATRBWIRCBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-7-11(17)20-9(2)12(8)14(19)16-10-5-3-4-6-15-13(10)18/h7,10H,3-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide is sourced from PubChem (CID 4553699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).