N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide

C14H16N6O2 — CID 100755134

About N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide

N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 100755134) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
• PubChem CID: 100755134
• Molecular Formula: C14H16N6O2
• Molecular Weight: 300.32 g/mol
• Exact Mass: 300.13
• IUPAC Name: N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
• SMILES: C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Cn1cccn1
• InChI: InChI=1S/C14H16N6O2/c1-9(8-20-6-2-5-16-20)7-15-13(21)11-4-3-10-12(17-11)19-14(22)18-10/h2-6,9H,7-8H2,1H3,(H,15,21)(H2,17,18,19,22)/t9-/m1/s1
• InChIKey: JNBSXZMEOZEVEL-SECBINFHSA-N
• XLogP: 0.51
• TPSA: 108.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.32
LogP ≤ 5	0.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide?

The IUPAC name of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide (CID 100755134) is N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide?

The canonical SMILES for N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide is C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Cn1cccn1.

What is the InChIKey of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide?

The InChIKey is JNBSXZMEOZEVEL-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-9(8-20-6-2-5-16-20)7-15-13(21)11-4-3-10-12(17-11)19-14(22)18-10/h2-6,9H,7-8H2,1H3,(H,15,21)(H2,17,18,19,22)/t9-/m1/s1.

What are the key properties of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide?

N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 100755134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).