5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C18H18N4O3 — CID 11313743

IUPAC5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C18H18N4O3/c1-25-8-7-19-18(24)15-11-21-16-14(15)9-13(10-20-16)22-17(23)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyXJMNKULOWHGQIA-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.19
Rot. Bonds6

About 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11313743) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11313743
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C18H18N4O3/c1-25-8-7-19-18(24)15-11-21-16-14(15)9-13(10-20-16)22-17(23)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyXJMNKULOWHGQIA-UHFFFAOYSA-N
XLogP2.19
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11418316
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11232835
N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11384085
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
N-[3-[(E)-3-[benzyl(ethyl)amino]-3-oxoprop-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 71001378
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
5-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11360578

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11313743) is 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COCCNC(=O)c1c[nH]c2ncc(NC(=O)c3ccccc3)cc12.
What is the InChIKey of 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is XJMNKULOWHGQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-8-7-19-18(24)15-11-21-16-14(15)9-13(10-20-16)22-17(23)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11313743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).