1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide

C30H46N6O10 — CID 170995394

IUPAC1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(=O)n1O)N1CCOCCOCCN(C(C)CNC(=O)c2cccc(=O)n2O)CCOCCOCC1
InChIInChI=1S/C30H46N6O10/c1-23(21-31-29(39)25-5-3-7-27(37)35(25)41)33-9-13-43-17-19-45-15-11-34(12-16-46-20-18-44-14-10-33)24(2)22-32-30(40)26-6-4-8-28(38)36(26)42/h3-8,23-24,41-42H,9-22H2,1-2H3,(H,31,39)(H,32,40)
InChIKeyFILPACHQDMRSQT-UHFFFAOYSA-N
MW650.73 g/mol
LogP-0.89
Rot. Bonds8

About 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide

1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide (PubChem CID 170995394) has the molecular formula C30H46N6O10 and a molecular weight of 650.73 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide
PubChem CID170995394
Molecular FormulaC30H46N6O10
Molecular Weight650.73 g/mol
Exact Mass650.33
IUPAC Name1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide
SMILESCC(CNC(=O)c1cccc(=O)n1O)N1CCOCCOCCN(C(C)CNC(=O)c2cccc(=O)n2O)CCOCCOCC1
InChIInChI=1S/C30H46N6O10/c1-23(21-31-29(39)25-5-3-7-27(37)35(25)41)33-9-13-43-17-19-45-15-11-34(12-16-46-20-18-44-14-10-33)24(2)22-32-30(40)26-6-4-8-28(38)36(26)42/h3-8,23-24,41-42H,9-22H2,1-2H3,(H,31,39)(H,32,40)
InChIKeyFILPACHQDMRSQT-UHFFFAOYSA-N
XLogP-0.89
TPSA186.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.73
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide (CID 170995394) is 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide is CC(CNC(=O)c1cccc(=O)n1O)N1CCOCCOCCN(C(C)CNC(=O)c2cccc(=O)n2O)CCOCCOCC1.
What is the InChIKey of 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide?
The InChIKey is FILPACHQDMRSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O10/c1-23(21-31-29(39)25-5-3-7-27(37)35(25)41)33-9-13-43-17-19-45-15-11-34(12-16-46-20-18-44-14-10-33)24(2)22-32-30(40)26-6-4-8-28(38)36(26)42/h3-8,23-24,41-42H,9-22H2,1-2H3,(H,31,39)(H,32,40).
What are the key properties of 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide has a molecular weight of 650.73 g/mol, XLogP of -0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-[16-[1-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 170995394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).