(4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C23H25N5O2 — CID 97442800

About (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

(4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 97442800) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
• PubChem CID: 97442800
• Molecular Formula: C23H25N5O2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.20
• IUPAC Name: (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
• SMILES: CC(C)n1cnc2c1[C@H](C(=O)NCc1cccnc1)N(C(=O)c1ccccc1)CC2
• InChI: InChI=1S/C23H25N5O2/c1-16(2)28-15-26-19-10-12-27(23(30)18-8-4-3-5-9-18)21(20(19)28)22(29)25-14-17-7-6-11-24-13-17/h3-9,11,13,15-16,21H,10,12,14H2,1-2H3,(H,25,29)/t21-/m1/s1
• InChIKey: VMHCYCMHAYKWNO-OAQYLSRUSA-N
• XLogP: 2.91
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The IUPAC name of (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 97442800) is (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

What is the SMILES notation for (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The canonical SMILES for (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is CC(C)n1cnc2c1[C@H](C(=O)NCc1cccnc1)N(C(=O)c1ccccc1)CC2.

What is the InChIKey of (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

The InChIKey is VMHCYCMHAYKWNO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16(2)28-15-26-19-10-12-27(23(30)18-8-4-3-5-9-18)21(20(19)28)22(29)25-14-17-7-6-11-24-13-17/h3-9,11,13,15-16,21H,10,12,14H2,1-2H3,(H,25,29)/t21-/m1/s1.

What are the key properties of (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?

(4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 97442800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).