N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)

C33H40F3N5O4U — CID 176972627

IUPACN-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)
SMILESCCc1cc(F)c(-c2c[c-]nc(NC(=O)c3cc(CN[C@@H](C)[C@H](C)OC)cn(C)c3=O)c2)c(C(=O)N2CC(F)(F)C2)c1.C[CH-]C.[U+2]
InChIInChI=1S/C30H33F3N5O4.C3H7.U/c1-6-19-9-22(29(41)38-15-30(32,33)16-38)26(24(31)11-19)21-7-8-34-25(12-21)36-27(39)23-10-20(14-37(4)28(23)40)13-35-17(2)18(3)42-5;1-3-2;/h7,9-12,14,17-18,35H,6,13,15-16H2,1-5H3,(H,34,36,39);3H,1-2H3;/q2*-1;+2/t17-,18-;;/m0../s1
InChIKeyCEQDVLAWKLCJGI-MPGISEFESA-N
MW865.74 g/mol
LogP5.04
Rot. Bonds10

About N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)

N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+) (PubChem CID 176972627) has the molecular formula C33H40F3N5O4U and a molecular weight of 865.74 g/mol. Its IUPAC name is N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+).

Molecular Properties

Compound NameN-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)
PubChem CID176972627
Molecular FormulaC33H40F3N5O4U
Molecular Weight865.74 g/mol
Exact Mass865.35
IUPAC NameN-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)
SMILESCCc1cc(F)c(-c2c[c-]nc(NC(=O)c3cc(CN[C@@H](C)[C@H](C)OC)cn(C)c3=O)c2)c(C(=O)N2CC(F)(F)C2)c1.C[CH-]C.[U+2]
InChIInChI=1S/C30H33F3N5O4.C3H7.U/c1-6-19-9-22(29(41)38-15-30(32,33)16-38)26(24(31)11-19)21-7-8-34-25(12-21)36-27(39)23-10-20(14-37(4)28(23)40)13-35-17(2)18(3)42-5;1-3-2;/h7,9-12,14,17-18,35H,6,13,15-16H2,1-5H3,(H,34,36,39);3H,1-2H3;/q2*-1;+2/t17-,18-;;/m0../s1
InChIKeyCEQDVLAWKLCJGI-MPGISEFESA-N
XLogP5.04
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.74
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)?
The IUPAC name of N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+) (CID 176972627) is N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+).
What is the SMILES notation for N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)?
The canonical SMILES for N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+) is CCc1cc(F)c(-c2c[c-]nc(NC(=O)c3cc(CN[C@@H](C)[C@H](C)OC)cn(C)c3=O)c2)c(C(=O)N2CC(F)(F)C2)c1.C[CH-]C.[U+2].
What is the InChIKey of N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)?
The InChIKey is CEQDVLAWKLCJGI-MPGISEFESA-N. The full InChI is InChI=1S/C30H33F3N5O4.C3H7.U/c1-6-19-9-22(29(41)38-15-30(32,33)16-38)26(24(31)11-19)21-7-8-34-25(12-21)36-27(39)23-10-20(14-37(4)28(23)40)13-35-17(2)18(3)42-5;1-3-2;/h7,9-12,14,17-18,35H,6,13,15-16H2,1-5H3,(H,34,36,39);3H,1-2H3;/q2*-1;+2/t17-,18-;;/m0../s1.
What are the key properties of N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+)?
N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+) has a molecular weight of 865.74 g/mol, XLogP of 5.04, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,3-difluoroazetidine-1-carbonyl)-4-ethyl-6-fluorophenyl]-2H-pyridin-2-id-6-yl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-1-methyl-2-oxopyridine-3-carboxamide;propane;uranium(2+) is sourced from PubChem (CID 176972627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).