3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C16H21N5O2 — CID 176507089

IUPAC3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)Cn1cnc2cc(C(=O)NCC3CNC(=O)C3)cnc21
InChIInChI=1S/C16H21N5O2/c1-10(2)8-21-9-20-13-4-12(7-18-15(13)21)16(23)19-6-11-3-14(22)17-5-11/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,17,22)(H,19,23)
InChIKeyQMQIWOQGQAVHDX-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.95
Rot. Bonds5

About 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176507089) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176507089
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)Cn1cnc2cc(C(=O)NCC3CNC(=O)C3)cnc21
InChIInChI=1S/C16H21N5O2/c1-10(2)8-21-9-20-13-4-12(7-18-15(13)21)16(23)19-6-11-3-14(22)17-5-11/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,17,22)(H,19,23)
InChIKeyQMQIWOQGQAVHDX-UHFFFAOYSA-N
XLogP0.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 176507089) is 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is CC(C)Cn1cnc2cc(C(=O)NCC3CNC(=O)C3)cnc21.
What is the InChIKey of 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QMQIWOQGQAVHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)8-21-9-20-13-4-12(7-18-15(13)21)16(23)19-6-11-3-14(22)17-5-11/h4,7,9-11H,3,5-6,8H2,1-2H3,(H,17,22)(H,19,23).
What are the key properties of 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176507089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).