N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C21H23N5O3 — CID 46352054

About N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 46352054) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
• PubChem CID: 46352054
• Molecular Formula: C21H23N5O3
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.18
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)C2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)o1
• InChI: InChI=1S/C21H23N5O3/c1-14-7-8-16(29-14)12-23-20(27)15-5-4-10-26(13-15)21(28)19-11-18(24-25-19)17-6-2-3-9-22-17/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,23,27)(H,24,25)
• InChIKey: YMISQHHDUYDCTM-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 46352054) is N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)o1.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

The InChIKey is YMISQHHDUYDCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-7-8-16(29-14)12-23-20(27)15-5-4-10-26(13-15)21(28)19-11-18(24-25-19)17-6-2-3-9-22-17/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,23,27)(H,24,25).

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?

N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46352054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).