4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline

C22H21N3 — CID 4124907

IUPAC4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
SMILESCc1ccc(NC(c2ccccn2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H21N3/c1-15-10-12-17(13-11-15)25-22(20-9-5-6-14-23-20)21-16(2)24-19-8-4-3-7-18(19)21/h3-14,22,24-25H,1-2H3
InChIKeyZPHRAINXQDMKNC-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.38
Rot. Bonds4

About 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline

4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline (PubChem CID 4124907) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
PubChem CID4124907
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
SMILESCc1ccc(NC(c2ccccn2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H21N3/c1-15-10-12-17(13-11-15)25-22(20-9-5-6-14-23-20)21-16(2)24-19-8-4-3-7-18(19)21/h3-14,22,24-25H,1-2H3
InChIKeyZPHRAINXQDMKNC-UHFFFAOYSA-N
XLogP5.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline
CID 7106162
(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethanol
CID 696635
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1403996
3-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-1H-indole
CID 110453783
3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 3631684
4-methoxy-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1404002
4-iodo-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1184822
2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol
CID 705312
N-[2-methyl-3-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide
CID 50750861
2-methyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-2-ylmethyl]-1H-indole
CID 7113557
3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]-2-methyl-1H-indole
CID 7106173
4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
CID 1404025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline?
The IUPAC name of 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline (CID 4124907) is 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline.
What is the SMILES notation for 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline?
The canonical SMILES for 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline is Cc1ccc(NC(c2ccccn2)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline?
The InChIKey is ZPHRAINXQDMKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-15-10-12-17(13-11-15)25-22(20-9-5-6-14-23-20)21-16(2)24-19-8-4-3-7-18(19)21/h3-14,22,24-25H,1-2H3.
What are the key properties of 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline?
4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline has a molecular weight of 327.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline is sourced from PubChem (CID 4124907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).