3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine

C20H18N4 — CID 11507920

IUPAC3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cccc(-c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)
InChIKeyLPQUIIHPUGDHJK-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.42
Rot. Bonds4

About 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine

3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine (PubChem CID 11507920) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine
PubChem CID11507920
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cccc(-c2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23)
InChIKeyLPQUIIHPUGDHJK-UHFFFAOYSA-N
XLogP4.42
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine (CID 11507920) is 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine is Nc1ncccc1NCc1cccc(-c2ccc3cc[nH]c3c2)c1.
What is the InChIKey of 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine?
The InChIKey is LPQUIIHPUGDHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-20-18(5-2-9-23-20)24-13-14-3-1-4-16(11-14)17-7-6-15-8-10-22-19(15)12-17/h1-12,22,24H,13H2,(H2,21,23).
What are the key properties of 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine?
3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine has a molecular weight of 314.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(1H-indol-6-yl)phenyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 11507920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).