N,3,7-trimethyl-3H-azepine-6-carboxamide

C10H14N2O — CID 142078578

IUPACN,3,7-trimethyl-3H-azepine-6-carboxamide
SMILESCNC(=O)C1=C(C)N=CC(C)C=C1
InChIInChI=1S/C10H14N2O/c1-7-4-5-9(10(13)11-3)8(2)12-6-7/h4-7H,1-3H3,(H,11,13)
InChIKeyQIFDHEWJCCTWHU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.28
Rot. Bonds1

About N,3,7-trimethyl-3H-azepine-6-carboxamide

N,3,7-trimethyl-3H-azepine-6-carboxamide (PubChem CID 142078578) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N,3,7-trimethyl-3H-azepine-6-carboxamide.

Molecular Properties

Compound NameN,3,7-trimethyl-3H-azepine-6-carboxamide
PubChem CID142078578
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN,3,7-trimethyl-3H-azepine-6-carboxamide
SMILESCNC(=O)C1=C(C)N=CC(C)C=C1
InChIInChI=1S/C10H14N2O/c1-7-4-5-9(10(13)11-3)8(2)12-6-7/h4-7H,1-3H3,(H,11,13)
InChIKeyQIFDHEWJCCTWHU-UHFFFAOYSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-N,6,6-trimethylazepine-3-carboxamide
CID 124011669
1,2-Dihydropyrido[2,3-d]azepin-8-one
CID 140921113
N,2,6,6-tetramethylazepine-3-carboxamide
CID 142078574
N,2-dimethylbutanamide;propane;N,3,7-trimethyl-3H-azepine-6-carboxamide
CID 142078577
N-methyl-2H-azepine-5-carboxamide
CID 142206390
7-Methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
CID 143017382
(2Z)-N-methyl-2-(3-methylidenepyrazin-2-ylidene)but-3-enamide
CID 143913526
CID 153340922
CID 153340922
3-[(Z)-3-methylbut-1-enyl]-4-(methylideneamino)-1H-pyridin-2-one
CID 156518529
7,8-dihydro-3H-pyrrolo[3,4-b]azepin-6-one;ethane
CID 156794178
(7S)-7-methyl-2,7-dihydropyrido[3,4-c]azepin-1-one
CID 164140042
(2E,4E)-2,3-bis(ethenyl)-4-(ethylideneamino)-N-methylhexa-2,4-dienamide
CID 170211815

Frequently Asked Questions

What is the IUPAC name of N,3,7-trimethyl-3H-azepine-6-carboxamide?
The IUPAC name of N,3,7-trimethyl-3H-azepine-6-carboxamide (CID 142078578) is N,3,7-trimethyl-3H-azepine-6-carboxamide.
What is the SMILES notation for N,3,7-trimethyl-3H-azepine-6-carboxamide?
The canonical SMILES for N,3,7-trimethyl-3H-azepine-6-carboxamide is CNC(=O)C1=C(C)N=CC(C)C=C1.
What is the InChIKey of N,3,7-trimethyl-3H-azepine-6-carboxamide?
The InChIKey is QIFDHEWJCCTWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-5-9(10(13)11-3)8(2)12-6-7/h4-7H,1-3H3,(H,11,13).
What are the key properties of N,3,7-trimethyl-3H-azepine-6-carboxamide?
N,3,7-trimethyl-3H-azepine-6-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7-trimethyl-3H-azepine-6-carboxamide is sourced from PubChem (CID 142078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).