N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine

C19H17N3 — CID 144698247

IUPACN-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine
SMILESCNCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C19H17N3/c1-20-12-13-5-4-6-14(11-13)15-9-10-21-19-18(15)16-7-2-3-8-17(16)22-19/h2-11,20H,12H2,1H3,(H,21,22)
InChIKeyFYJNBJWDHRJSOU-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.10
Rot. Bonds3

About N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine

N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine (PubChem CID 144698247) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine
PubChem CID144698247
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC NameN-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine
SMILESCNCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1
InChIInChI=1S/C19H17N3/c1-20-12-13-5-4-6-14(11-13)15-9-10-21-19-18(15)16-7-2-3-8-17(16)22-19/h2-11,20H,12H2,1H3,(H,21,22)
InChIKeyFYJNBJWDHRJSOU-UHFFFAOYSA-N
XLogP4.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine (CID 144698247) is N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine is CNCc1cccc(-c2ccnc3[nH]c4ccccc4c23)c1.
What is the InChIKey of N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine?
The InChIKey is FYJNBJWDHRJSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-20-12-13-5-4-6-14(11-13)15-9-10-21-19-18(15)16-7-2-3-8-17(16)22-19/h2-11,20H,12H2,1H3,(H,21,22).
What are the key properties of N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine?
N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine has a molecular weight of 287.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(9H-pyrido[2,3-b]indol-4-yl)phenyl]methanamine is sourced from PubChem (CID 144698247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).