4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide

C28H33F2N5O3 — CID 143797965

About 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide

4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide (PubChem CID 143797965) has the molecular formula C28H33F2N5O3 and a molecular weight of 525.60 g/mol. Its IUPAC name is 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide
• PubChem CID: 143797965
• Molecular Formula: C28H33F2N5O3
• Molecular Weight: 525.60 g/mol
• Exact Mass: 525.26
• IUPAC Name: 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide
• SMILES: C=C1CC(NC(=O)c2cc(NC(CF)CF)c(C(N)=O)cc2C)CC(C)N1c1ccc(C(=O)C2CC2)cn1
• InChI: InChI=1S/C28H33F2N5O3/c1-15-8-23(27(31)37)24(33-21(12-29)13-30)11-22(15)28(38)34-20-9-16(2)35(17(3)10-20)25-7-6-19(14-32-25)26(36)18-4-5-18/h6-8,11,14,17-18,20-21,33H,2,4-5,9-10,12-13H2,1,3H3,(H2,31,37)(H,34,38)
• InChIKey: SUUCDBWWXDWVHM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 117.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.60
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide?

The IUPAC name of 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide (CID 143797965) is 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide.

What is the SMILES notation for 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide?

The canonical SMILES for 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide is C=C1CC(NC(=O)c2cc(NC(CF)CF)c(C(N)=O)cc2C)CC(C)N1c1ccc(C(=O)C2CC2)cn1.

What is the InChIKey of 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide?

The InChIKey is SUUCDBWWXDWVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N5O3/c1-15-8-23(27(31)37)24(33-21(12-29)13-30)11-22(15)28(38)34-20-9-16(2)35(17(3)10-20)25-7-6-19(14-32-25)26(36)18-4-5-18/h6-8,11,14,17-18,20-21,33H,2,4-5,9-10,12-13H2,1,3H3,(H2,31,37)(H,34,38).

What are the key properties of 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide?

4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide has a molecular weight of 525.60 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[1-[5-(cyclopropanecarbonyl)-2-pyridinyl]-2-methyl-6-methylidenepiperidin-4-yl]-2-(1,3-difluoropropan-2-ylamino)-5-methylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 143797965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).