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

C16H21FN2O — CID 123350589

IUPACN,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
SMILESCCNC(=O)C1=C(CC)C(C)CC=C2C(F)=CC=CN21
InChIInChI=1S/C16H21FN2O/c1-4-12-11(3)8-9-14-13(17)7-6-10-19(14)15(12)16(20)18-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyRKMPEBCTXQOGFH-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.39
Rot. Bonds3

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

N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide (PubChem CID 123350589) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide.

Molecular Properties

Compound NameN,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
PubChem CID123350589
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide
SMILESCCNC(=O)C1=C(CC)C(C)CC=C2C(F)=CC=CN21
InChIInChI=1S/C16H21FN2O/c1-4-12-11(3)8-9-14-13(17)7-6-10-19(14)15(12)16(20)18-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyRKMPEBCTXQOGFH-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
The IUPAC name of N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide (CID 123350589) is N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide.
What is the SMILES notation for N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
The canonical SMILES for N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide is CCNC(=O)C1=C(CC)C(C)CC=C2C(F)=CC=CN21.
What is the InChIKey of N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
The InChIKey is RKMPEBCTXQOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-12-11(3)8-9-14-13(17)7-6-10-19(14)15(12)16(20)18-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide?
N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethyl-1-fluoro-8-methyl-8,9-dihydropyrido[1,2-a]azepine-6-carboxamide is sourced from PubChem (CID 123350589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).