N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide

C25H26N6O4S — CID 171356960

IUPACN-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ccc(C(=O)NO)cc4)cc3n2)cn1
InChIInChI=1S/C25H26N6O4S/c1-30(18-6-3-16(4-7-18)25(32)29-33)15-19-13-20-22(36-19)24(31-9-11-35-12-10-31)28-23(27-20)17-5-8-21(34-2)26-14-17/h3-8,13-14,33H,9-12,15H2,1-2H3,(H,29,32)
InChIKeyZPDSADGKXLOVPB-UHFFFAOYSA-N
MW506.59 g/mol
LogP3.35
Rot. Bonds7

About N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide

N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide (PubChem CID 171356960) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide
PubChem CID171356960
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC NameN-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide
SMILESCOc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ccc(C(=O)NO)cc4)cc3n2)cn1
InChIInChI=1S/C25H26N6O4S/c1-30(18-6-3-16(4-7-18)25(32)29-33)15-19-13-20-22(36-19)24(31-9-11-35-12-10-31)28-23(27-20)17-5-8-21(34-2)26-14-17/h3-8,13-14,33H,9-12,15H2,1-2H3,(H,29,32)
InChIKeyZPDSADGKXLOVPB-UHFFFAOYSA-N
XLogP3.35
TPSA112.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide (CID 171356960) is N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide is COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ccc(C(=O)NO)cc4)cc3n2)cn1.
What is the InChIKey of N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide?
The InChIKey is ZPDSADGKXLOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-30(18-6-3-16(4-7-18)25(32)29-33)15-19-13-20-22(36-19)24(31-9-11-35-12-10-31)28-23(27-20)17-5-8-21(34-2)26-14-17/h3-8,13-14,33H,9-12,15H2,1-2H3,(H,29,32).
What are the key properties of N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide?
N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide has a molecular weight of 506.59 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzamide is sourced from PubChem (CID 171356960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).