N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H25N5O3 — CID 46426792

About N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 46426792) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
• PubChem CID: 46426792
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
• SMILES: COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccn2)c1C(C)C
• InChI: InChI=1S/C22H25N5O3/c1-14(2)21-16(12-25-27(21)19-7-5-6-10-23-19)22(29)24-13-20(28)26-17-11-15(3)8-9-18(17)30-4/h5-12,14H,13H2,1-4H3,(H,24,29)(H,26,28)
• InChIKey: YWGHLYCLMUVJPC-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 46426792) is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1cnn(-c2ccccn2)c1C(C)C.

What is the InChIKey of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

The InChIKey is YWGHLYCLMUVJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14(2)21-16(12-25-27(21)19-7-5-6-10-23-19)22(29)24-13-20(28)26-17-11-15(3)8-9-18(17)30-4/h5-12,14H,13H2,1-4H3,(H,24,29)(H,26,28).

What are the key properties of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46426792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).