3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine

C27H24N4O — CID 11517373

IUPAC3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1
InChIInChI=1S/C27H24N4O/c28-27-24(7-4-13-30-27)31-17-23-15-21(22-9-8-20-12-14-29-25(20)16-22)10-11-26(23)32-18-19-5-2-1-3-6-19/h1-16,29,31H,17-18H2,(H2,28,30)
InChIKeyIWQIMHIJDLAOHB-UHFFFAOYSA-N
MW420.52 g/mol
LogP6.00
Rot. Bonds7

About 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine

3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine (PubChem CID 11517373) has the molecular formula C27H24N4O and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine
PubChem CID11517373
Molecular FormulaC27H24N4O
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1
InChIInChI=1S/C27H24N4O/c28-27-24(7-4-13-30-27)31-17-23-15-21(22-9-8-20-12-14-29-25(20)16-22)10-11-26(23)32-18-19-5-2-1-3-6-19/h1-16,29,31H,17-18H2,(H2,28,30)
InChIKeyIWQIMHIJDLAOHB-UHFFFAOYSA-N
XLogP6.00
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine with MolForge

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Related Compounds

3-N-[(5-bromo-2-phenylmethoxyphenyl)methyl]pyridine-2,3-diamine
CID 11668110
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-chloroaniline
CID 126187569
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
3-(1H-indol-6-yl)pyridine-2-carboxylic acid
CID 175760025
3-N-[[3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]methyl]pyridine-2,3-diamine
CID 11688808
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
6-[5-(2-aminopyrimidin-4-yl)-2-phenylmethoxyphenyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 171853443
8-phenylmethoxyquinolin-6-amine
CID 22053377

Frequently Asked Questions

What is the IUPAC name of 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine (CID 11517373) is 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine is Nc1ncccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1.
What is the InChIKey of 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine?
The InChIKey is IWQIMHIJDLAOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O/c28-27-24(7-4-13-30-27)31-17-23-15-21(22-9-8-20-12-14-29-25(20)16-22)10-11-26(23)32-18-19-5-2-1-3-6-19/h1-16,29,31H,17-18H2,(H2,28,30).
What are the key properties of 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine?
3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine has a molecular weight of 420.52 g/mol, XLogP of 6.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[5-(1H-indol-6-yl)-2-phenylmethoxyphenyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 11517373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).