N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide

C17H17N3O — CID 56893507

IUPACN-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H17N3O/c1-2-18-16(21)11-12-3-5-13(6-4-12)14-7-9-19-17-15(14)8-10-20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyFRFJHCWJHATFIA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.91
Rot. Bonds4

About N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide

N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide (PubChem CID 56893507) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
PubChem CID56893507
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
SMILESCCNC(=O)Cc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C17H17N3O/c1-2-18-16(21)11-12-3-5-13(6-4-12)14-7-9-19-17-15(14)8-10-20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyFRFJHCWJHATFIA-UHFFFAOYSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Difenpiramide
CID 100472
VX 509
CID 59422203
1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Y-39983
CID 11507964
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 46870040
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
N-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide
CID 54063522
3,5-diphenyl-1H-pyrrolo[2,3-b]pyridine
CID 57597953
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69183822
N-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]prop-2-enamide
CID 69990516

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The IUPAC name of N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide (CID 56893507) is N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide is CCNC(=O)Cc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The InChIKey is FRFJHCWJHATFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-18-16(21)11-12-3-5-13(6-4-12)14-7-9-19-17-15(14)8-10-20-17/h3-10H,2,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide is sourced from PubChem (CID 56893507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).