N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide

C24H20N4O2 — CID 57262993

IUPACN-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)C(=Cc1c[nH]c3ncccc13)C(O)N2
InChIInChI=1S/C24H20N4O2/c29-23(27-13-15-5-2-1-3-6-15)16-8-9-21-19(11-16)20(24(30)28-21)12-17-14-26-22-18(17)7-4-10-25-22/h1-12,14,24,28,30H,13H2,(H,25,26)(H,27,29)
InChIKeyGLHRBHVPDDHCSL-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.78
Rot. Bonds4

About N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide

N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide (PubChem CID 57262993) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide
PubChem CID57262993
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)C(=Cc1c[nH]c3ncccc13)C(O)N2
InChIInChI=1S/C24H20N4O2/c29-23(27-13-15-5-2-1-3-6-15)16-8-9-21-19(11-16)20(24(30)28-21)12-17-14-26-22-18(17)7-4-10-25-22/h1-12,14,24,28,30H,13H2,(H,25,26)(H,27,29)
InChIKeyGLHRBHVPDDHCSL-UHFFFAOYSA-N
XLogP3.78
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
CID 70128127
(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
CID 70128125
N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
CID 11588022
N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-methyl-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 69377006
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide?
The IUPAC name of N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide (CID 57262993) is N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide?
The canonical SMILES for N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)C(=Cc1c[nH]c3ncccc13)C(O)N2.
What is the InChIKey of N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide?
The InChIKey is GLHRBHVPDDHCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c29-23(27-13-15-5-2-1-3-6-15)16-8-9-21-19(11-16)20(24(30)28-21)12-17-14-26-22-18(17)7-4-10-25-22/h1-12,14,24,28,30H,13H2,(H,25,26)(H,27,29).
What are the key properties of N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide?
N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-dihydroindole-5-carboxamide is sourced from PubChem (CID 57262993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).