2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C34H40Cl2F3N7O2 — CID 44625683

About 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 44625683) has the molecular formula C34H40Cl2F3N7O2 and a molecular weight of 706.64 g/mol. Its IUPAC name is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 44625683
• Molecular Formula: C34H40Cl2F3N7O2
• Molecular Weight: 706.64 g/mol
• Exact Mass: 705.26
• IUPAC Name: 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
• SMILES: CC(C)N1CCC(CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2N2CCCC(Nc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1
• InChI: InChI=1S/C34H40Cl2F3N7O2/c1-20(2)45-15-12-21(13-16-45)18-44(3)33(48)26-8-10-28(24-7-6-22(35)17-27(24)36)42-32(26)46-14-4-5-23(19-46)41-29-11-9-25(31(40)43-29)30(47)34(37,38)39/h6-11,17,20-21,23H,4-5,12-16,18-19H2,1-3H3,(H3,40,41,43)
• InChIKey: SDGSMTGHNIVHPE-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 107.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.64
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 44625683) is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is CC(C)N1CCC(CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2N2CCCC(Nc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1.

What is the InChIKey of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?

The InChIKey is SDGSMTGHNIVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40Cl2F3N7O2/c1-20(2)45-15-12-21(13-16-45)18-44(3)33(48)26-8-10-28(24-7-6-22(35)17-27(24)36)42-32(26)46-14-4-5-23(19-46)41-29-11-9-25(31(40)43-29)30(47)34(37,38)39/h6-11,17,20-21,23H,4-5,12-16,18-19H2,1-3H3,(H3,40,41,43).

What are the key properties of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?

2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 706.64 g/mol, XLogP of 7.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44625683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).