(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine

C24H27N5 — CID 166877905

IUPAC(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine
SMILESC/C(N)=C1\c2ccc(-c3ccncc3)cc2C(Nc2ccc(C)cc2)CCN1N
InChIInChI=1S/C24H27N5/c1-16-3-6-20(7-4-16)28-23-11-14-29(26)24(17(2)25)21-8-5-19(15-22(21)23)18-9-12-27-13-10-18/h3-10,12-13,15,23,28H,11,14,25-26H2,1-2H3/b24-17-
InChIKeyDEZIOAWWVMNKMR-ULJHMMPZSA-N
MW385.52 g/mol
LogP4.44
Rot. Bonds3

About (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine

(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine (PubChem CID 166877905) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine.

Molecular Properties

Compound Name(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine
PubChem CID166877905
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine
SMILESC/C(N)=C1\c2ccc(-c3ccncc3)cc2C(Nc2ccc(C)cc2)CCN1N
InChIInChI=1S/C24H27N5/c1-16-3-6-20(7-4-16)28-23-11-14-29(26)24(17(2)25)21-8-5-19(15-22(21)23)18-9-12-27-13-10-18/h3-10,12-13,15,23,28H,11,14,25-26H2,1-2H3/b24-17-
InChIKeyDEZIOAWWVMNKMR-ULJHMMPZSA-N
XLogP4.44
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
The IUPAC name of (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine (CID 166877905) is (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine.
What is the SMILES notation for (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
The canonical SMILES for (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine is C/C(N)=C1\c2ccc(-c3ccncc3)cc2C(Nc2ccc(C)cc2)CCN1N.
What is the InChIKey of (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
The InChIKey is DEZIOAWWVMNKMR-ULJHMMPZSA-N. The full InChI is InChI=1S/C24H27N5/c1-16-3-6-20(7-4-16)28-23-11-14-29(26)24(17(2)25)21-8-5-19(15-22(21)23)18-9-12-27-13-10-18/h3-10,12-13,15,23,28H,11,14,25-26H2,1-2H3/b24-17-.
What are the key properties of (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine?
(1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine has a molecular weight of 385.52 g/mol, XLogP of 4.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-aminoethylidene)-5-N-(4-methylphenyl)-7-pyridin-4-yl-4,5-dihydro-3H-2-benzazepine-2,5-diamine is sourced from PubChem (CID 166877905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).