1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone

C21H17N3O — CID 44577794

IUPAC1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccncc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O/c25-21(18-14-24-19-7-3-1-5-16(18)19)17-6-2-4-8-20(17)23-13-15-9-11-22-12-10-15/h1-12,14,23-24H,13H2
InChIKeyKVPGEPFIZBIQJW-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.41
Rot. Bonds5

About 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone

1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone (PubChem CID 44577794) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
PubChem CID44577794
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccncc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17N3O/c25-21(18-14-24-19-7-3-1-5-16(18)19)17-6-2-4-8-20(17)23-13-15-9-11-22-12-10-15/h1-12,14,23-24H,13H2
InChIKeyKVPGEPFIZBIQJW-UHFFFAOYSA-N
XLogP4.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[2-(1H-indazol-6-ylmethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 44577796
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
CID 44578022
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
[2-(benzylamino)-3-pyridinyl]-(6-chloro-1H-indol-3-yl)methanone
CID 118038327
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
The IUPAC name of 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone (CID 44577794) is 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
The canonical SMILES for 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone is O=C(c1ccccc1NCc1ccncc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
The InChIKey is KVPGEPFIZBIQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-21(18-14-24-19-7-3-1-5-16(18)19)17-6-2-4-8-20(17)23-13-15-9-11-22-12-10-15/h1-12,14,23-24H,13H2.
What are the key properties of 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone?
1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone has a molecular weight of 327.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 44577794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).