N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine

C15H17FN4 — CID 134807485

IUPACN-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine
SMILESCN1CCNc2cc(Nc3ccc(F)cc3)ncc2C1
InChIInChI=1S/C15H17FN4/c1-20-7-6-17-14-8-15(18-9-11(14)10-20)19-13-4-2-12(16)3-5-13/h2-5,8-9,17H,6-7,10H2,1H3,(H,18,19)
InChIKeyVRIHPUHICDFXAQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.82
Rot. Bonds2

About N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine

N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine (PubChem CID 134807485) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine
PubChem CID134807485
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC NameN-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine
SMILESCN1CCNc2cc(Nc3ccc(F)cc3)ncc2C1
InChIInChI=1S/C15H17FN4/c1-20-7-6-17-14-8-15(18-9-11(14)10-20)19-13-4-2-12(16)3-5-13/h2-5,8-9,17H,6-7,10H2,1H3,(H,18,19)
InChIKeyVRIHPUHICDFXAQ-UHFFFAOYSA-N
XLogP2.82
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine (CID 134807485) is N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine is CN1CCNc2cc(Nc3ccc(F)cc3)ncc2C1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine?
The InChIKey is VRIHPUHICDFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-20-7-6-17-14-8-15(18-9-11(14)10-20)19-13-4-2-12(16)3-5-13/h2-5,8-9,17H,6-7,10H2,1H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine?
N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine has a molecular weight of 272.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine is sourced from PubChem (CID 134807485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).