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

C35H41Cl2F3N6O2 — CID 58379281

About 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 58379281) has the molecular formula C35H41Cl2F3N6O2 and a molecular weight of 705.65 g/mol. Its IUPAC name is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 58379281
• Molecular Formula: C35H41Cl2F3N6O2
• Molecular Weight: 705.65 g/mol
• Exact Mass: 704.26
• IUPAC Name: 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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(Cc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1
• InChI: InChI=1S/C35H41Cl2F3N6O2/c1-21(2)45-15-12-22(13-16-45)19-44(3)34(48)28-10-11-30(26-8-6-24(36)18-29(26)37)43-33(28)46-14-4-5-23(20-46)17-25-7-9-27(32(41)42-25)31(47)35(38,39)40/h6-11,18,21-23H,4-5,12-17,19-20H2,1-3H3,(H2,41,42)
• InChIKey: KFORQNSUNJMCBF-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 95.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.65
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 58379281) is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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]methyl]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]methyl]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(Cc3ccc(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]methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?

The InChIKey is KFORQNSUNJMCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41Cl2F3N6O2/c1-21(2)45-15-12-22(13-16-45)19-44(3)34(48)28-10-11-30(26-8-6-24(36)18-29(26)37)43-33(28)46-14-4-5-23(20-46)17-25-7-9-27(32(41)42-25)31(47)35(38,39)40/h6-11,18,21-23H,4-5,12-17,19-20H2,1-3H3,(H2,41,42).

What are the key properties of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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]methyl]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 705.65 g/mol, XLogP of 7.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]methyl]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 58379281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).