N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide

C24H24N4O12 — CID 59227357

IUPACN-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1occc(=O)c1O)CCNC(=O)c1occc(=O)c1O)c1occc(=O)c1O
InChIInChI=1S/C24H24N4O12/c29-13-1-10-38-19(16(13)32)22(35)25-4-7-28(8-5-26-23(36)20-17(33)14(30)2-11-39-20)9-6-27-24(37)21-18(34)15(31)3-12-40-21/h1-3,10-12,32-34H,4-9H2,(H,25,35)(H,26,36)(H,27,37)
InChIKeyNEDXIRDNHQEUNC-UHFFFAOYSA-N
MW560.47 g/mol
LogP-1.45
Rot. Bonds12

About N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide

N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 59227357) has the molecular formula C24H24N4O12 and a molecular weight of 560.47 g/mol. Its IUPAC name is N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide
PubChem CID59227357
Molecular FormulaC24H24N4O12
Molecular Weight560.47 g/mol
Exact Mass560.14
IUPAC NameN-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1occc(=O)c1O)CCNC(=O)c1occc(=O)c1O)c1occc(=O)c1O
InChIInChI=1S/C24H24N4O12/c29-13-1-10-38-19(16(13)32)22(35)25-4-7-28(8-5-26-23(36)20-17(33)14(30)2-11-39-20)9-6-27-24(37)21-18(34)15(31)3-12-40-21/h1-3,10-12,32-34H,4-9H2,(H,25,35)(H,26,36)(H,27,37)
InChIKeyNEDXIRDNHQEUNC-UHFFFAOYSA-N
XLogP-1.45
TPSA241.86 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500560.47
LogP ≤ 5-1.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-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 N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide (CID 59227357) is N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide is O=C(NCCN(CCNC(=O)c1occc(=O)c1O)CCNC(=O)c1occc(=O)c1O)c1occc(=O)c1O.
What is the InChIKey of N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is NEDXIRDNHQEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O12/c29-13-1-10-38-19(16(13)32)22(35)25-4-7-28(8-5-26-23(36)20-17(33)14(30)2-11-39-20)9-6-27-24(37)21-18(34)15(31)3-12-40-21/h1-3,10-12,32-34H,4-9H2,(H,25,35)(H,26,36)(H,27,37).
What are the key properties of N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide?
N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 560.47 g/mol, XLogP of -1.45, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 59227357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).