1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)

C31H45N5O3SU — CID 154667773

About 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)

1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+) (PubChem CID 154667773) has the molecular formula C31H45N5O3SU and a molecular weight of 805.83 g/mol. Its IUPAC name is 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+).

Molecular Properties

• Compound Name: 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)
• PubChem CID: 154667773
• Molecular Formula: C31H45N5O3SU
• Molecular Weight: 805.83 g/mol
• Exact Mass: 805.38
• IUPAC Name: 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)
• SMILES: CCC(C)CC(C)OC(C)CC.[CH2-]CC([CH2-])n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C)n3)cs2)c1.[U+2]
• InChI: InChI=1S/C20H21N5O2S.C11H24O.U/c1-4-14(3)25-9-8-15(11-25)19(27)21-10-18(26)24-20-23-17(12-28-20)16-7-5-6-13(2)22-16;1-6-9(3)8-11(5)12-10(4)7-2;/h5-9,11-12,14H,1,3-4,10H2,2H3,(H,21,27)(H,23,24,26);9-11H,6-8H2,1-5H3;/q-2;;+2
• InChIKey: KCQOWEAYCIWPDQ-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.83
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)?

The IUPAC name of 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+) (CID 154667773) is 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+).

What is the SMILES notation for 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)?

The canonical SMILES for 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+) is CCC(C)CC(C)OC(C)CC.[CH2-]CC([CH2-])n1ccc(C(=O)NCC(=O)Nc2nc(-c3cccc(C)n3)cs2)c1.[U+2].

What is the InChIKey of 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)?

The InChIKey is KCQOWEAYCIWPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S.C11H24O.U/c1-4-14(3)25-9-8-15(11-25)19(27)21-10-18(26)24-20-23-17(12-28-20)16-7-5-6-13(2)22-16;1-6-9(3)8-11(5)12-10(4)7-2;/h5-9,11-12,14H,1,3-4,10H2,2H3,(H,21,27)(H,23,24,26);9-11H,6-8H2,1-5H3;/q-2;;+2.

What are the key properties of 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+)?

1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+) has a molecular weight of 805.83 g/mol, XLogP of 6.91, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-N-[2-[[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;2-butan-2-yloxy-4-methylhexane;uranium(2+) is sourced from PubChem (CID 154667773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).