ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate

C16H14N6O2 — CID 15196836

IUPACethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate
SMILESCCOC(=O)NC1=Nc2ccccc2Nc2nc(N)c(C#N)cc21
InChIInChI=1S/C16H14N6O2/c1-2-24-16(23)22-15-10-7-9(8-17)13(18)21-14(10)19-11-5-3-4-6-12(11)20-15/h3-7H,2H2,1H3,(H3,18,19,21)(H,20,22,23)
InChIKeyJYJMWRUHXWQOTD-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.42
Rot. Bonds1

About ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate

ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate (PubChem CID 15196836) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate
PubChem CID15196836
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Nameethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate
SMILESCCOC(=O)NC1=Nc2ccccc2Nc2nc(N)c(C#N)cc21
InChIInChI=1S/C16H14N6O2/c1-2-24-16(23)22-15-10-7-9(8-17)13(18)21-14(10)19-11-5-3-4-6-12(11)20-15/h3-7H,2H2,1H3,(H3,18,19,21)(H,20,22,23)
InChIKeyJYJMWRUHXWQOTD-UHFFFAOYSA-N
XLogP2.42
TPSA125.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate?
The IUPAC name of ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate (CID 15196836) is ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate.
What is the SMILES notation for ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate?
The canonical SMILES for ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate is CCOC(=O)NC1=Nc2ccccc2Nc2nc(N)c(C#N)cc21.
What is the InChIKey of ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate?
The InChIKey is JYJMWRUHXWQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-2-24-16(23)22-15-10-7-9(8-17)13(18)21-14(10)19-11-5-3-4-6-12(11)20-15/h3-7H,2H2,1H3,(H3,18,19,21)(H,20,22,23).
What are the key properties of ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate?
ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate has a molecular weight of 322.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-amino-3-cyano-11H-pyrido[2,3-b][1,5]benzodiazepin-5-yl)carbamate is sourced from PubChem (CID 15196836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).