N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide

C29H34F3N5O2 — CID 66973360

About N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide

N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide (PubChem CID 66973360) has the molecular formula C29H34F3N5O2 and a molecular weight of 541.62 g/mol. Its IUPAC name is N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide
• PubChem CID: 66973360
• Molecular Formula: C29H34F3N5O2
• Molecular Weight: 541.62 g/mol
• Exact Mass: 541.27
• IUPAC Name: N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C2C=CC=C(C(=O)N(C)C3CCCc4ccccc43)N2)CC1
• InChI: InChI=1S/C29H34F3N5O2/c1-19-17-26(29(30,31)32)34-37(19)18-27(38)36-15-13-21(14-16-36)23-10-6-11-24(33-23)28(39)35(2)25-12-5-8-20-7-3-4-9-22(20)25/h3-4,6-7,9-11,17,21,23,25,33H,5,8,12-16,18H2,1-2H3
• InChIKey: BWCMYMDIIJIXFS-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.62
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide?

The IUPAC name of N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide (CID 66973360) is N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide.

What is the SMILES notation for N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide?

The canonical SMILES for N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(C2C=CC=C(C(=O)N(C)C3CCCc4ccccc43)N2)CC1.

What is the InChIKey of N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide?

The InChIKey is BWCMYMDIIJIXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N5O2/c1-19-17-26(29(30,31)32)34-37(19)18-27(38)36-15-13-21(14-16-36)23-10-6-11-24(33-23)28(39)35(2)25-12-5-8-20-7-3-4-9-22(20)25/h3-4,6-7,9-11,17,21,23,25,33H,5,8,12-16,18H2,1-2H3.

What are the key properties of N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide?

N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide has a molecular weight of 541.62 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 66973360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).