2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol

C21H19N3O — CID 705312

IUPAC2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol
SMILESCc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1O
InChIInChI=1S/C21H19N3O/c1-14-20(15-8-2-4-10-17(15)23-14)21(16-9-3-5-11-18(16)25)24-19-12-6-7-13-22-19/h2-13,21,23,25H,1H3,(H,22,24)/t21-/m0/s1
InChIKeyFKAHSBXKXQRRCW-NRFANRHFSA-N
MW329.40 g/mol
LogP4.78
Rot. Bonds4

About 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol

2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol (PubChem CID 705312) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol
PubChem CID705312
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol
SMILESCc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1O
InChIInChI=1S/C21H19N3O/c1-14-20(15-8-2-4-10-17(15)23-14)21(16-9-3-5-11-18(16)25)24-19-12-6-7-13-22-19/h2-13,21,23,25H,1H3,(H,22,24)/t21-/m0/s1
InChIKeyFKAHSBXKXQRRCW-NRFANRHFSA-N
XLogP4.78
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-(2-methyl-1H-indol-3-yl)-(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6924222
N-[(R)-(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]pyridin-2-amine
CID 1192851
2-[(R)-(2-methyl-1H-indol-3-yl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]phenol
CID 2329798
4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
CID 1404025
4-methyl-N-[(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]aniline
CID 4124907
(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
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-2-ylmethyl]-4-nitroaniline
CID 7106162
2-bromo-N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 4125263
N-[(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)methyl]aniline
CID 71282982
N-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
CID 66573206
2-bromo-N-[(R)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1189558

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol?
The IUPAC name of 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol (CID 705312) is 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol?
The canonical SMILES for 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol is Cc1[nH]c2ccccc2c1[C@@H](Nc1ccccn1)c1ccccc1O.
What is the InChIKey of 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol?
The InChIKey is FKAHSBXKXQRRCW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-20(15-8-2-4-10-17(15)23-14)21(16-9-3-5-11-18(16)25)24-19-12-6-7-13-22-19/h2-13,21,23,25H,1H3,(H,22,24)/t21-/m0/s1.
What are the key properties of 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol?
2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol has a molecular weight of 329.40 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-methyl-1H-indol-3-yl)-(pyridin-2-ylamino)methyl]phenol is sourced from PubChem (CID 705312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).