2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide

C15H25N3O — CID 134989648

IUPAC2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
SMILESCCN(CC)C(=O)C1=CN=C(N(CC)CC)CC=C1
InChIInChI=1S/C15H25N3O/c1-5-17(6-2)14-11-9-10-13(12-16-14)15(19)18(7-3)8-4/h9-10,12H,5-8,11H2,1-4H3
InChIKeyAQNYBMLBKXKEHR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds5

About 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide

2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide (PubChem CID 134989648) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
PubChem CID134989648
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
SMILESCCN(CC)C(=O)C1=CN=C(N(CC)CC)CC=C1
InChIInChI=1S/C15H25N3O/c1-5-17(6-2)14-11-9-10-13(12-16-14)15(19)18(7-3)8-4/h9-10,12H,5-8,11H2,1-4H3
InChIKeyAQNYBMLBKXKEHR-UHFFFAOYSA-N
XLogP2.44
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
1-[(3,6-Difluorocyclohepta-1,3,4,6-tetraen-1-yl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173758
3,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155812076
7-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529100
2-(diethylamino)-N,N-dimethyl-3H-azepine-5-carboxamide
CID 86151925
2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide
CID 134915400
1-[2-(diethylamino)-3H-azepin-6-yl]ethanone
CID 134989495
8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231820
3,8-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155813677
8-Ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 155816742
7,9-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 20347980
9-Ethylpyrido[1,2-a]pyrimidin-4-one
CID 20347986

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide?
The IUPAC name of 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide (CID 134989648) is 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide is CCN(CC)C(=O)C1=CN=C(N(CC)CC)CC=C1.
What is the InChIKey of 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide?
The InChIKey is AQNYBMLBKXKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-17(6-2)14-11-9-10-13(12-16-14)15(19)18(7-3)8-4/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide?
2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide is sourced from PubChem (CID 134989648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).