6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine

C21H22N4 — CID 90776088

IUPAC6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine
SMILESCN1Cc2cc(-c3cccc(N)n3)ccc2NCC1c1ccccc1
InChIInChI=1S/C21H22N4/c1-25-14-17-12-16(19-8-5-9-21(22)24-19)10-11-18(17)23-13-20(25)15-6-3-2-4-7-15/h2-12,20,23H,13-14H2,1H3,(H2,22,24)
InChIKeyNGQIAZHBCVWRNU-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.93
Rot. Bonds2

About 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine

6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine (PubChem CID 90776088) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine
PubChem CID90776088
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine
SMILESCN1Cc2cc(-c3cccc(N)n3)ccc2NCC1c1ccccc1
InChIInChI=1S/C21H22N4/c1-25-14-17-12-16(19-8-5-9-21(22)24-19)10-11-18(17)23-13-20(25)15-6-3-2-4-7-15/h2-12,20,23H,13-14H2,1H3,(H2,22,24)
InChIKeyNGQIAZHBCVWRNU-UHFFFAOYSA-N
XLogP3.93
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine?
The IUPAC name of 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine (CID 90776088) is 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine.
What is the SMILES notation for 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine?
The canonical SMILES for 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine is CN1Cc2cc(-c3cccc(N)n3)ccc2NCC1c1ccccc1.
What is the InChIKey of 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine?
The InChIKey is NGQIAZHBCVWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-25-14-17-12-16(19-8-5-9-21(22)24-19)10-11-18(17)23-13-20(25)15-6-3-2-4-7-15/h2-12,20,23H,13-14H2,1H3,(H2,22,24).
What are the key properties of 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine?
6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-7-yl)pyridin-2-amine is sourced from PubChem (CID 90776088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).