N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine

C50H75F3N10O5 — CID 167464088

About N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine

N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine (PubChem CID 167464088) has the molecular formula C50H75F3N10O5 and a molecular weight of 953.21 g/mol. Its IUPAC name is N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine.

Molecular Properties

• Compound Name: N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine
• PubChem CID: 167464088
• Molecular Formula: C50H75F3N10O5
• Molecular Weight: 953.21 g/mol
• Exact Mass: 952.59
• IUPAC Name: N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine
• SMILES: CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)CC1.CN1CC(C(=O)NCCCCCCNC(=O)CCCCCCCCC(N)=O)CC1=O.c1ccncc1
• InChI: InChI=1S/C23H30F3N5O.C22H40N4O4.C5H5N/c1-14(2)30(3)16-5-7-17(8-6-16)31-11-10-20(22(31)32)29-21-18-12-15(23(24,25)26)4-9-19(18)27-13-28-21;1-26-17-18(16-21(26)29)22(30)25-15-11-7-6-10-14-24-20(28)13-9-5-3-2-4-8-12-19(23)27;1-2-4-6-5-3-1/h4,9,12-14,16-17,20H,5-8,10-11H2,1-3H3,(H,27,28,29);18H,2-17H2,1H3,(H2,23,27)(H,24,28)(H,25,30);1-5H
• InChIKey: OKROWTTXWSSGAN-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 195.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.21
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine?

The IUPAC name of N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine (CID 167464088) is N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine.

What is the SMILES notation for N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine?

The canonical SMILES for N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine is CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)CC1.CN1CC(C(=O)NCCCCCCNC(=O)CCCCCCCCC(N)=O)CC1=O.c1ccncc1.

What is the InChIKey of N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine?

The InChIKey is OKROWTTXWSSGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O.C22H40N4O4.C5H5N/c1-14(2)30(3)16-5-7-17(8-6-16)31-11-10-20(22(31)32)29-21-18-12-15(23(24,25)26)4-9-19(18)27-13-28-21;1-26-17-18(16-21(26)29)22(30)25-15-11-7-6-10-14-24-20(28)13-9-5-3-2-4-8-12-19(23)27;1-2-4-6-5-3-1/h4,9,12-14,16-17,20H,5-8,10-11H2,1-3H3,(H,27,28,29);18H,2-17H2,1H3,(H2,23,27)(H,24,28)(H,25,30);1-5H.

What are the key properties of N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine?

N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine has a molecular weight of 953.21 g/mol, XLogP of 7.26, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[6-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexyl]decanediamide;1-[4-[methyl(propan-2-yl)amino]cyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one;pyridine is sourced from PubChem (CID 167464088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).