N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine

C25H28N4 — CID 15586667

IUPACN,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
SMILESCCN(CC)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21
InChIInChI=1S/C25H28N4/c1-3-28(4-2)18-11-19-29-23-16-9-8-14-21(23)24(20-12-6-5-7-13-20)27-22-15-10-17-26-25(22)29/h5-10,12-17H,3-4,11,18-19H2,1-2H3
InChIKeyRQVMHYTXWPYJBW-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.43
Rot. Bonds7

About N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine

N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine (PubChem CID 15586667) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
PubChem CID15586667
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC NameN,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine
SMILESCCN(CC)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21
InChIInChI=1S/C25H28N4/c1-3-28(4-2)18-11-19-29-23-16-9-8-14-21(23)24(20-12-6-5-7-13-20)27-22-15-10-17-26-25(22)29/h5-10,12-17H,3-4,11,18-19H2,1-2H3
InChIKeyRQVMHYTXWPYJBW-UHFFFAOYSA-N
XLogP5.43
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine (CID 15586667) is N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine is CCN(CC)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21.
What is the InChIKey of N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine?
The InChIKey is RQVMHYTXWPYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-3-28(4-2)18-11-19-29-23-16-9-8-14-21(23)24(20-12-6-5-7-13-20)27-22-15-10-17-26-25(22)29/h5-10,12-17H,3-4,11,18-19H2,1-2H3.
What are the key properties of N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine?
N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine has a molecular weight of 384.53 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(6-phenylpyrido[2,3-b][1,4]benzodiazepin-11-yl)propan-1-amine is sourced from PubChem (CID 15586667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).