3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile

C18H21N5 — CID 946898

IUPAC3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile
SMILESCCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c21
InChIInChI=1S/C18H21N5/c1-3-22(4-2)9-10-23-16-8-6-5-7-13(16)15-12-21-18(20)14(11-19)17(15)23/h5-8,12H,3-4,9-10H2,1-2H3,(H2,20,21)
InChIKeyYEVMYZBKILWGFV-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.99
Rot. Bonds5

About 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile

3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile (PubChem CID 946898) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile
PubChem CID946898
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile
SMILESCCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c21
InChIInChI=1S/C18H21N5/c1-3-22(4-2)9-10-23-16-8-6-5-7-13(16)15-12-21-18(20)14(11-19)17(15)23/h5-8,12H,3-4,9-10H2,1-2H3,(H2,20,21)
InChIKeyYEVMYZBKILWGFV-UHFFFAOYSA-N
XLogP2.99
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile?
The IUPAC name of 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile (CID 946898) is 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile is CCN(CC)CCn1c2ccccc2c2cnc(N)c(C#N)c21.
What is the InChIKey of 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile?
The InChIKey is YEVMYZBKILWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-3-22(4-2)9-10-23-16-8-6-5-7-13(16)15-12-21-18(20)14(11-19)17(15)23/h5-8,12H,3-4,9-10H2,1-2H3,(H2,20,21).
What are the key properties of 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile?
3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(diethylamino)ethyl]pyrido[4,3-b]indole-4-carbonitrile is sourced from PubChem (CID 946898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).