3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide

C20H29N5O2 — CID 92566982

About 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide

3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide (PubChem CID 92566982) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
• PubChem CID: 92566982
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
• SMILES: COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cnn(C)c2)CC1
• InChI: InChI=1S/C20H29N5O2/c1-24-14-16(13-22-24)15-25-10-6-17(7-11-25)20(18-5-3-4-9-21-18)23-19(26)8-12-27-2/h3-5,9,13-14,17,20H,6-8,10-12,15H2,1-2H3,(H,23,26)/t20-/m0/s1
• InChIKey: MXIPKDLLCXCXRM-FQEVSTJZSA-N
• XLogP: 1.92
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?

The IUPAC name of 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide (CID 92566982) is 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide.

What is the SMILES notation for 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?

The canonical SMILES for 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide is COCCC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cnn(C)c2)CC1.

What is the InChIKey of 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?

The InChIKey is MXIPKDLLCXCXRM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-24-14-16(13-22-24)15-25-10-6-17(7-11-25)20(18-5-3-4-9-21-18)23-19(26)8-12-27-2/h3-5,9,13-14,17,20H,6-8,10-12,15H2,1-2H3,(H,23,26)/t20-/m0/s1.

What are the key properties of 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide?

3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[(S)-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide is sourced from PubChem (CID 92566982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).