1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone

C22H19N3O2 — CID 86728664

IUPAC1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone
SMILESCOc1ccnc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-16-11-12-23-20(13-16)25-21(15-7-3-2-4-8-15)22(26)18-14-24-19-10-6-5-9-17(18)19/h2-14,21,24H,1H3,(H,23,25)
InChIKeyGTGXIGFTFFYIGA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.61
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone

1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone (PubChem CID 86728664) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone
PubChem CID86728664
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone
SMILESCOc1ccnc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1
InChIInChI=1S/C22H19N3O2/c1-27-16-11-12-23-20(13-16)25-21(15-7-3-2-4-8-15)22(26)18-14-24-19-10-6-5-9-17(18)19/h2-14,21,24H,1H3,(H,23,25)
InChIKeyGTGXIGFTFFYIGA-UHFFFAOYSA-N
XLogP4.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone (CID 86728664) is 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone is COc1ccnc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone?
The InChIKey is GTGXIGFTFFYIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-16-11-12-23-20(13-16)25-21(15-7-3-2-4-8-15)22(26)18-14-24-19-10-6-5-9-17(18)19/h2-14,21,24H,1H3,(H,23,25).
What are the key properties of 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone?
1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone has a molecular weight of 357.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(4-methoxy-2-pyridinyl)amino]-2-phenylethanone is sourced from PubChem (CID 86728664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).