N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine

C19H17N3 — CID 135058147

IUPACN,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine
SMILESCN(c1ccccc1)c1ccc2nc3n(C)cccc-3c2c1
InChIInChI=1S/C19H17N3/c1-21-12-6-9-16-17-13-15(10-11-18(17)20-19(16)21)22(2)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyMMYSCIWALQXEMR-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.45
Rot. Bonds2

About N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine

N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine (PubChem CID 135058147) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine
PubChem CID135058147
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC NameN,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine
SMILESCN(c1ccccc1)c1ccc2nc3n(C)cccc-3c2c1
InChIInChI=1S/C19H17N3/c1-21-12-6-9-16-17-13-15(10-11-18(17)20-19(16)21)22(2)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyMMYSCIWALQXEMR-UHFFFAOYSA-N
XLogP4.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine?
The IUPAC name of N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine (CID 135058147) is N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine.
What is the SMILES notation for N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine?
The canonical SMILES for N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine is CN(c1ccccc1)c1ccc2nc3n(C)cccc-3c2c1.
What is the InChIKey of N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine?
The InChIKey is MMYSCIWALQXEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-21-12-6-9-16-17-13-15(10-11-18(17)20-19(16)21)22(2)14-7-4-3-5-8-14/h3-13H,1-2H3.
What are the key properties of N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine?
N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine has a molecular weight of 287.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-phenylpyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 135058147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).