(2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C22H25N5O4 — CID 51965455

About (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

(2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 51965455) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
• PubChem CID: 51965455
• Molecular Formula: C22H25N5O4
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.19
• IUPAC Name: (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
• SMILES: COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1OCc1ccncc1
• InChI: InChI=1S/C22H25N5O4/c1-16(27-12-4-9-24-27)22(29)26(2)14-21(28)25-18-5-6-19(30-3)20(13-18)31-15-17-7-10-23-11-8-17/h4-13,16H,14-15H2,1-3H3,(H,25,28)/t16-/m1/s1
• InChIKey: HTUUVOJWDAMGHS-MRXNPFEDSA-N
• XLogP: 2.52
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?

The IUPAC name of (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 51965455) is (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

What is the SMILES notation for (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?

The canonical SMILES for (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1OCc1ccncc1.

What is the InChIKey of (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?

The InChIKey is HTUUVOJWDAMGHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-16(27-12-4-9-24-27)22(29)26(2)14-21(28)25-18-5-6-19(30-3)20(13-18)31-15-17-7-10-23-11-8-17/h4-13,16H,14-15H2,1-3H3,(H,25,28)/t16-/m1/s1.

What are the key properties of (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?

(2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 423.47 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[4-methoxy-3-(pyridin-4-ylmethoxy)anilino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 51965455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).