1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid

C16H23F3N4O3 — CID 118743543

IUPAC1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)NC(C)C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O.C2HF3O2/c1-10(2)15-14(19)18-8-7-17(4)13-12(9-18)6-5-11(3)16-13;3-2(4,5)1(6)7/h5-6,10H,7-9H2,1-4H3,(H,15,19);(H,6,7)
InChIKeyARJNQBVEDRHXDL-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.39
Rot. Bonds1

About 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid

1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743543) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743543
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC Name1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)NC(C)C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O.C2HF3O2/c1-10(2)15-14(19)18-8-7-17(4)13-12(9-18)6-5-11(3)16-13;3-2(4,5)1(6)7/h5-6,10H,7-9H2,1-4H3,(H,15,19);(H,6,7)
InChIKeyARJNQBVEDRHXDL-UHFFFAOYSA-N
XLogP2.39
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 118743543) is 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc2c(n1)N(C)CCN(C(=O)NC(C)C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ARJNQBVEDRHXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.C2HF3O2/c1-10(2)15-14(19)18-8-7-17(4)13-12(9-18)6-5-11(3)16-13;3-2(4,5)1(6)7/h5-6,10H,7-9H2,1-4H3,(H,15,19);(H,6,7).
What are the key properties of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 376.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).