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

C16H21F3N4O3 — CID 118744148

IUPACN-cyclopropyl-1,8-dimethyl-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)NC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O.C2HF3O2/c1-10-3-4-11-9-18(14(19)16-12-5-6-12)8-7-17(2)13(11)15-10;3-2(4,5)1(6)7/h3-4,12H,5-9H2,1-2H3,(H,16,19);(H,6,7)
InChIKeyRTUUIWSHYYEZDA-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.15
Rot. Bonds1

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

N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744148) has the molecular formula C16H21F3N4O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744148
Molecular FormulaC16H21F3N4O3
Molecular Weight374.36 g/mol
Exact Mass374.16
IUPAC NameN-cyclopropyl-1,8-dimethyl-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)NC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N4O.C2HF3O2/c1-10-3-4-11-9-18(14(19)16-12-5-6-12)8-7-17(2)13(11)15-10;3-2(4,5)1(6)7/h3-4,12H,5-9H2,1-2H3,(H,16,19);(H,6,7)
InChIKeyRTUUIWSHYYEZDA-UHFFFAOYSA-N
XLogP2.15
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 118744148) is N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-1,8-dimethyl-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)NC1CC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is RTUUIWSHYYEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.C2HF3O2/c1-10-3-4-11-9-18(14(19)16-12-5-6-12)8-7-17(2)13(11)15-10;3-2(4,5)1(6)7/h3-4,12H,5-9H2,1-2H3,(H,16,19);(H,6,7).
What are the key properties of N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 374.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).