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

C28H42N6O10 — CID 170995389

IUPAC1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCN1CCOCCOCCN(CCNC(=O)c2cccc(=O)n2O)CCOCCOCC1)c1cccc(=O)n1O
InChIInChI=1S/C28H42N6O10/c35-25-5-1-3-23(33(25)39)27(37)29-7-9-31-11-15-41-19-21-43-17-13-32(14-18-44-22-20-42-16-12-31)10-8-30-28(38)24-4-2-6-26(36)34(24)40/h1-6,39-40H,7-22H2,(H,29,37)(H,30,38)
InChIKeyBMJUGXRRXRACSB-UHFFFAOYSA-N
MW622.68 g/mol
LogP-1.67
Rot. Bonds8

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

1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide (PubChem CID 170995389) has the molecular formula C28H42N6O10 and a molecular weight of 622.68 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide
PubChem CID170995389
Molecular FormulaC28H42N6O10
Molecular Weight622.68 g/mol
Exact Mass622.30
IUPAC Name1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCN1CCOCCOCCN(CCNC(=O)c2cccc(=O)n2O)CCOCCOCC1)c1cccc(=O)n1O
InChIInChI=1S/C28H42N6O10/c35-25-5-1-3-23(33(25)39)27(37)29-7-9-31-11-15-41-19-21-43-17-13-32(14-18-44-22-20-42-16-12-31)10-8-30-28(38)24-4-2-6-26(36)34(24)40/h1-6,39-40H,7-22H2,(H,29,37)(H,30,38)
InChIKeyBMJUGXRRXRACSB-UHFFFAOYSA-N
XLogP-1.67
TPSA186.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.68
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide with MolForge

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Related Compounds

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CID 803484
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide (CID 170995389) is 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide is O=C(NCCN1CCOCCOCCN(CCNC(=O)c2cccc(=O)n2O)CCOCCOCC1)c1cccc(=O)n1O.
What is the InChIKey of 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide?
The InChIKey is BMJUGXRRXRACSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N6O10/c35-25-5-1-3-23(33(25)39)27(37)29-7-9-31-11-15-41-19-21-43-17-13-32(14-18-44-22-20-42-16-12-31)10-8-30-28(38)24-4-2-6-26(36)34(24)40/h1-6,39-40H,7-22H2,(H,29,37)(H,30,38).
What are the key properties of 1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[2-[16-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide has a molecular weight of 622.68 g/mol, XLogP of -1.67, 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-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 170995389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).