(2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C24H28N6O3 — CID 95153329

About (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 95153329) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
• PubChem CID: 95153329
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
• SMILES: C[C@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)n1cccn1
• InChI: InChI=1S/C24H28N6O3/c1-18(30-12-5-11-26-30)23(31)27-20-7-2-8-21(14-20)28-24(32)29(17-22-9-4-13-33-22)16-19-6-3-10-25-15-19/h2-3,5-8,10-12,14-15,18,22H,4,9,13,16-17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m1/s1
• InChIKey: ZHZFTHXALJFIGR-XMSQKQJNSA-N
• XLogP: 3.69
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?

The IUPAC name of (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 95153329) is (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

What is the SMILES notation for (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?

The canonical SMILES for (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is C[C@H](C(=O)Nc1cccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)c1)n1cccn1.

What is the InChIKey of (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?

The InChIKey is ZHZFTHXALJFIGR-XMSQKQJNSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-18(30-12-5-11-26-30)23(31)27-20-7-2-8-21(14-20)28-24(32)29(17-22-9-4-13-33-22)16-19-6-3-10-25-15-19/h2-3,5-8,10-12,14-15,18,22H,4,9,13,16-17H2,1H3,(H,27,31)(H,28,32)/t18-,22-/m1/s1.

What are the key properties of (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?

(2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 448.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[3-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 95153329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).