N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine

C25H21N3 — CID 156772815

IUPACN,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine
SMILESc1ccc(CN(Cc2ccccc2)c2ccc3c(n2)[nH]c2ccccc23)cc1
InChIInChI=1S/C25H21N3/c1-3-9-19(10-4-1)17-28(18-20-11-5-2-6-12-20)24-16-15-22-21-13-7-8-14-23(21)26-25(22)27-24/h1-16H,17-18H2,(H,26,27)
InChIKeyCMFRYIKBFJJDSB-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.92
Rot. Bonds5

About N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine

N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine (PubChem CID 156772815) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine
PubChem CID156772815
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC NameN,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine
SMILESc1ccc(CN(Cc2ccccc2)c2ccc3c(n2)[nH]c2ccccc23)cc1
InChIInChI=1S/C25H21N3/c1-3-9-19(10-4-1)17-28(18-20-11-5-2-6-12-20)24-16-15-22-21-13-7-8-14-23(21)26-25(22)27-24/h1-16H,17-18H2,(H,26,27)
InChIKeyCMFRYIKBFJJDSB-UHFFFAOYSA-N
XLogP5.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9H-pyrido[2,3-b]indol-2-yl)propanedinitrile
CID 135080221
N,N-dibenzyl-6-chloropyridin-2-amine
CID 130159096
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735
2-[(2-bromophenyl)methyl]-9H-pyrido[2,3-b]indole
CID 175872363
1-(9H-pyrido[2,3-b]indol-2-yl)naphthalen-2-ol
CID 137276980
2-(2,4-dimethylphenyl)-9H-pyrido[2,3-b]indole
CID 176621868
9H-carbazole
CID 66668984
13-phenyl-8,10,12-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
CID 144569234
9H-pyrimido[4,5-b]indole-2-carboxylic acid
CID 82394262
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
bis(9H-carbazole);propane
CID 90987002

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine?
The IUPAC name of N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine (CID 156772815) is N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine.
What is the SMILES notation for N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine?
The canonical SMILES for N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine is c1ccc(CN(Cc2ccccc2)c2ccc3c(n2)[nH]c2ccccc23)cc1.
What is the InChIKey of N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine?
The InChIKey is CMFRYIKBFJJDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3/c1-3-9-19(10-4-1)17-28(18-20-11-5-2-6-12-20)24-16-15-22-21-13-7-8-14-23(21)26-25(22)27-24/h1-16H,17-18H2,(H,26,27).
What are the key properties of N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine?
N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine has a molecular weight of 363.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-9H-pyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 156772815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).