3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide

C26H36N4O7 — CID 123579591

IUPAC3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide
SMILESC=CC(=C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(CC(C)C)NC(=O)C(C)C1O
InChIInChI=1S/C26H36N4O7/c1-7-14(4)12-17-22(32)15(5)23(33)29-18(11-13(2)3)26(36)37-16(6)20(24(34)28-17)30-25(35)21-19(31)9-8-10-27-21/h7-10,13,15-18,20,22,31-32H,1,4,11-12H2,2-3,5-6H3,(H,28,34)(H,29,33)(H,30,35)
InChIKeyHOJQTQCRPQBAOE-UHFFFAOYSA-N
MW516.60 g/mol
LogP0.98
Rot. Bonds7

About 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide

3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide (PubChem CID 123579591) has the molecular formula C26H36N4O7 and a molecular weight of 516.60 g/mol. Its IUPAC name is 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide
PubChem CID123579591
Molecular FormulaC26H36N4O7
Molecular Weight516.60 g/mol
Exact Mass516.26
IUPAC Name3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide
SMILESC=CC(=C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(CC(C)C)NC(=O)C(C)C1O
InChIInChI=1S/C26H36N4O7/c1-7-14(4)12-17-22(32)15(5)23(33)29-18(11-13(2)3)26(36)37-16(6)20(24(34)28-17)30-25(35)21-19(31)9-8-10-27-21/h7-10,13,15-18,20,22,31-32H,1,4,11-12H2,2-3,5-6H3,(H,28,34)(H,29,33)(H,30,35)
InChIKeyHOJQTQCRPQBAOE-UHFFFAOYSA-N
XLogP0.98
TPSA166.95 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide (CID 123579591) is 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide is C=CC(=C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(CC(C)C)NC(=O)C(C)C1O.
What is the InChIKey of 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?
The InChIKey is HOJQTQCRPQBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O7/c1-7-14(4)12-17-22(32)15(5)23(33)29-18(11-13(2)3)26(36)37-16(6)20(24(34)28-17)30-25(35)21-19(31)9-8-10-27-21/h7-10,13,15-18,20,22,31-32H,1,4,11-12H2,2-3,5-6H3,(H,28,34)(H,29,33)(H,30,35).
What are the key properties of 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?
3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 0.98, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[7-hydroxy-6,12-dimethyl-8-(2-methylidenebut-3-enyl)-3-(2-methylpropyl)-2,5,10-trioxo-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123579591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).