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

C33H38Cl2F3N7O2 — CID 44625681

About 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 44625681) has the molecular formula C33H38Cl2F3N7O2 and a molecular weight of 692.61 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-[(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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 44625681
• Molecular Formula: C33H38Cl2F3N7O2
• Molecular Weight: 692.61 g/mol
• Exact Mass: 691.24
• IUPAC Name: 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
• SMILES: CC(C)N1CCC(CNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)nc2N2CCCC(Nc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)CC1
• InChI: InChI=1S/C33H38Cl2F3N7O2/c1-19(2)44-14-11-20(12-15-44)17-40-32(47)25-7-9-27(23-6-5-21(34)16-26(23)35)42-31(25)45-13-3-4-22(18-45)41-28-10-8-24(30(39)43-28)29(46)33(36,37)38/h5-10,16,19-20,22H,3-4,11-15,17-18H2,1-2H3,(H,40,47)(H3,39,41,43)
• InChIKey: GDFPDNIVPXADJG-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 116.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.61
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	3
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-[(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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 44625681) is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2,4-dichlorophenyl)-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-[(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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is CC(C)N1CCC(CNC(=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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?

The InChIKey is GDFPDNIVPXADJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38Cl2F3N7O2/c1-19(2)44-14-11-20(12-15-44)17-40-32(47)25-7-9-27(23-6-5-21(34)16-26(23)35)42-31(25)45-13-3-4-22(18-45)41-28-10-8-24(30(39)43-28)29(46)33(36,37)38/h5-10,16,19-20,22H,3-4,11-15,17-18H2,1-2H3,(H,40,47)(H3,39,41,43).

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-[(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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 692.61 g/mol, XLogP of 6.71, 9 rotatable bonds, 3 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-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44625681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).