1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

C20H21N5O — CID 157015631

IUPAC1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1ccc2c(n1)N(C)CC2
InChIInChI=1S/C20H21N5O/c1-14-21-10-12-25(14)18-6-4-3-5-16(18)13-22-20(26)17-8-7-15-9-11-24(2)19(15)23-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,26)
InChIKeyAKPVCIWZDBELSG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.50
Rot. Bonds4

About 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide

1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 157015631) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID157015631
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1ccc2c(n1)N(C)CC2
InChIInChI=1S/C20H21N5O/c1-14-21-10-12-25(14)18-6-4-3-5-16(18)13-22-20(26)17-8-7-15-9-11-24(2)19(15)23-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,26)
InChIKeyAKPVCIWZDBELSG-UHFFFAOYSA-N
XLogP2.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 49083686
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide (CID 157015631) is 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is Cc1nccn1-c1ccccc1CNC(=O)c1ccc2c(n1)N(C)CC2.
What is the InChIKey of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is AKPVCIWZDBELSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-21-10-12-25(14)18-6-4-3-5-16(18)13-22-20(26)17-8-7-15-9-11-24(2)19(15)23-17/h3-8,10,12H,9,11,13H2,1-2H3,(H,22,26).
What are the key properties of 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide?
1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 157015631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).