3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide

C24H27N5O2 — CID 112832869

About 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide

3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide (PubChem CID 112832869) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
• PubChem CID: 112832869
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
• SMILES: Cc1ccccc1C(CC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)NC(N)=O
• InChI: InChI=1S/C24H27N5O2/c1-16-6-2-3-8-20(16)21(28-24(25)31)14-22(30)27-18-11-9-17(10-12-18)23-26-15-19-7-4-5-13-29(19)23/h2-3,6,8-12,15,21H,4-5,7,13-14H2,1H3,(H,27,30)(H3,25,28,31)
• InChIKey: ZPMKYDRBCCFFBO-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 102.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

The IUPAC name of 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide (CID 112832869) is 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide.

What is the SMILES notation for 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

The canonical SMILES for 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide is Cc1ccccc1C(CC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)NC(N)=O.

What is the InChIKey of 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

The InChIKey is ZPMKYDRBCCFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-6-2-3-8-20(16)21(28-24(25)31)14-22(30)27-18-11-9-17(10-12-18)23-26-15-19-7-4-5-13-29(19)23/h2-3,6,8-12,15,21H,4-5,7,13-14H2,1H3,(H,27,30)(H3,25,28,31).

What are the key properties of 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide?

3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(carbamoylamino)-3-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide is sourced from PubChem (CID 112832869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).