3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline

C23H23N3 — CID 3631684

IUPAC3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
SMILESCc1cc(C)cc(NC(c2ccncc2)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C23H23N3/c1-15-12-16(2)14-19(13-15)26-23(18-8-10-24-11-9-18)22-17(3)25-21-7-5-4-6-20(21)22/h4-14,23,25-26H,1-3H3
InChIKeyLUGRTBZJFPXTQM-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.69
Rot. Bonds4

About 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline

3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline (PubChem CID 3631684) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
PubChem CID3631684
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
SMILESCc1cc(C)cc(NC(c2ccncc2)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C23H23N3/c1-15-12-16(2)14-19(13-15)26-23(18-8-10-24-11-9-18)22-17(3)25-21-7-5-4-6-20(21)22/h4-14,23,25-26H,1-3H3
InChIKeyLUGRTBZJFPXTQM-UHFFFAOYSA-N
XLogP5.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.69
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-4-ylmethyl]aniline
CID 1403996
4-methoxy-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1404002
4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
CID 1404025
2-bromo-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 4125263
4-iodo-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1184822
4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
CID 4124907
2-bromo-N-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1189558
2-methyl-3-[(R)-pyridin-4-yl(pyrrolidin-1-yl)methyl]-1H-indole
CID 830462
N-[(S)-(3,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine
CID 7024570
N-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-4-fluoroaniline
CID 23821424
2-methyl-3-[(R)-(4-methylpiperazine-1,4-diium-1-yl)-pyridin-4-ylmethyl]-1H-indole
CID 7024265
N-[(S)-(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine
CID 6927134

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline (CID 3631684) is 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline is Cc1cc(C)cc(NC(c2ccncc2)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline?
The InChIKey is LUGRTBZJFPXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-15-12-16(2)14-19(13-15)26-23(18-8-10-24-11-9-18)22-17(3)25-21-7-5-4-6-20(21)22/h4-14,23,25-26H,1-3H3.
What are the key properties of 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline?
3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline has a molecular weight of 341.46 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline is sourced from PubChem (CID 3631684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).