N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine

C23H23N3O2 — CID 1192851

IUPACN-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine
SMILESCOc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H23N3O2/c1-15-22(17-8-4-5-9-18(17)25-15)23(26-21-10-6-7-13-24-21)16-11-12-19(27-2)20(14-16)28-3/h4-14,23,25H,1-3H3,(H,24,26)/t23-/m1/s1
InChIKeyFRLJFFKHQLTZQS-HSZRJFAPSA-N
MW373.46 g/mol
LogP5.09
Rot. Bonds6

About N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine

N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine (PubChem CID 1192851) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine
PubChem CID1192851
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine
SMILESCOc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H23N3O2/c1-15-22(17-8-4-5-9-18(17)25-15)23(26-21-10-6-7-13-24-21)16-11-12-19(27-2)20(14-16)28-3/h4-14,23,25H,1-3H3,(H,24,26)/t23-/m1/s1
InChIKeyFRLJFFKHQLTZQS-HSZRJFAPSA-N
XLogP5.09
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-4-fluoroaniline
CID 23821424
2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol
CID 705312
ethyl 4-[[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]amino]benzoate
CID 3429869
4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
CID 1404025
N-[(2-methyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-(trifluoromethyl)aniline
CID 131880606
4-methoxy-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1404002
N-[(S)-(3,4-dichlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-1-ium-2-amine
CID 7024570
2-[(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 23775599
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1403996
4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
CID 4124907
3,5-dimethyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 3631684
2-bromo-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 4125263

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine (CID 1192851) is N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine is COc1ccc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine?
The InChIKey is FRLJFFKHQLTZQS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-22(17-8-4-5-9-18(17)25-15)23(26-21-10-6-7-13-24-21)16-11-12-19(27-2)20(14-16)28-3/h4-14,23,25H,1-3H3,(H,24,26)/t23-/m1/s1.
What are the key properties of N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine?
N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine has a molecular weight of 373.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 1192851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).