N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide

C15H20N2O — CID 123585966

IUPACN,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
SMILESCCNC(=O)C1=C(CC)CCC=C2C=CC=CN21
InChIInChI=1S/C15H20N2O/c1-3-12-8-7-10-13-9-5-6-11-17(13)14(12)15(18)16-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyNYJBOMSAJYAFGG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds3

About N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide

N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide (PubChem CID 123585966) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide.

Molecular Properties

Compound NameN,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
PubChem CID123585966
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
SMILESCCNC(=O)C1=C(CC)CCC=C2C=CC=CN21
InChIInChI=1S/C15H20N2O/c1-3-12-8-7-10-13-9-5-6-11-17(13)14(12)15(18)16-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyNYJBOMSAJYAFGG-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
CID 123350589
1-(1,1-difluoroethyl)-N,7-diethyl-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
CID 124005605
2-[[2-(4-Methyl-2-oxo-1-pyridinyl)acetyl]amino]acetamide
CID 20820121
2-[2,3-dimethyl-5-(methylamino)-6-oxo-1-pyridinyl]-N-methylacetamide
CID 23403529
N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide
CID 23404915
7-Ethyl-6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 53910867
N-(1,5-diethyl-2H-pyridin-3-yl)acetamide
CID 57310396
2-[2,3-dimethyl-5-(methylamino)-6-oxo-1-pyridinyl]-N-ethylacetamide
CID 60092609
2-(5-amino-2,3-dimethyl-6-oxo-1-pyridinyl)-N-ethylacetamide
CID 60092843
2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 67562649
N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)-2-(propan-2-ylamino)acetamide
CID 67562653
1-(5-amino-2H-pyridin-1-yl)-3,7,11-trimethyldodeca-2,6,10-trien-1-one
CID 70401560

Frequently Asked Questions

What is the IUPAC name of N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
The IUPAC name of N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide (CID 123585966) is N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide.
What is the SMILES notation for N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
The canonical SMILES for N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide is CCNC(=O)C1=C(CC)CCC=C2C=CC=CN21.
What is the InChIKey of N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
The InChIKey is NYJBOMSAJYAFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-12-8-7-10-13-9-5-6-11-17(13)14(12)15(18)16-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide is sourced from PubChem (CID 123585966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).