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

C24H24N4O9 — CID 101397212

IUPACN-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1cc(=O)cco1)CCNC(=O)c1cc(=O)cco1)c1cc(=O)cco1
InChIInChI=1S/C24H24N4O9/c29-16-1-10-35-19(13-16)22(32)25-4-7-28(8-5-26-23(33)20-14-17(30)2-11-36-20)9-6-27-24(34)21-15-18(31)3-12-37-21/h1-3,10-15H,4-9H2,(H,25,32)(H,26,33)(H,27,34)
InChIKeyPWEQCSSAYNUSHY-UHFFFAOYSA-N
MW512.48 g/mol
LogP-0.56
Rot. Bonds12

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

N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide (PubChem CID 101397212) has the molecular formula C24H24N4O9 and a molecular weight of 512.48 g/mol. Its IUPAC name is N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide
PubChem CID101397212
Molecular FormulaC24H24N4O9
Molecular Weight512.48 g/mol
Exact Mass512.15
IUPAC NameN-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1cc(=O)cco1)CCNC(=O)c1cc(=O)cco1)c1cc(=O)cco1
InChIInChI=1S/C24H24N4O9/c29-16-1-10-35-19(13-16)22(32)25-4-7-28(8-5-26-23(33)20-14-17(30)2-11-36-20)9-6-27-24(34)21-15-18(31)3-12-37-21/h1-3,10-15H,4-9H2,(H,25,32)(H,26,33)(H,27,34)
InChIKeyPWEQCSSAYNUSHY-UHFFFAOYSA-N
XLogP-0.56
TPSA181.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.48
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide with MolForge

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Related Compounds

6,6',6''-(((Nitrilotris(ethane-2,1-diyl))tris(azanediyl))tris(methylene))tris(3-hydroxy-4h-pyran-4-one)
CID 171127204
N-[2-[3,4-dihydro-2H-pyran-6-carbonyl(2-morpholin-4-ylethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 86796498
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696509
N-[2-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide
CID 59227357
3-hydroxy-6-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-N-[2-[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethylamino]ethyl]-4-oxopyran-2,6-dicarboxamide
CID 59283139
piperazin-1-yl(4H-pyran-2-yl)methanone
CID 70333816
Tris(2-(2-aminoethylcarbamoyl)-4-oxopyran-3-olate);gadolinium(3+)
CID 54696508
Tris(2-(2-aminoethylcarbamoyl)-6-methyl-4-oxopyran-3-olate);gadolinium(3+)
CID 54696510
Tris(2-(2-aminoethylcarbamoyl)-4-oxopyran-3-olate);iron(3+)
CID 54696512
Tris(2-(2-aminoethylcarbamoyl)-6-methyl-4-oxopyran-3-olate);iron(3+)
CID 54696513
5-Methoxy-2-(piperazine-1-carbonyl)pyran-4-one
CID 82511008
3-Hydroxy-2-(piperazine-1-carbonyl)pyran-4-one
CID 83891564

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide?
The IUPAC name of N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide (CID 101397212) is N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide is O=C(NCCN(CCNC(=O)c1cc(=O)cco1)CCNC(=O)c1cc(=O)cco1)c1cc(=O)cco1.
What is the InChIKey of N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide?
The InChIKey is PWEQCSSAYNUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O9/c29-16-1-10-35-19(13-16)22(32)25-4-7-28(8-5-26-23(33)20-14-17(30)2-11-36-20)9-6-27-24(34)21-15-18(31)3-12-37-21/h1-3,10-15H,4-9H2,(H,25,32)(H,26,33)(H,27,34).
What are the key properties of N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide?
N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide has a molecular weight of 512.48 g/mol, XLogP of -0.56, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 101397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).