3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide

C18H22N4O6 — CID 54711325

IUPAC3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C18H22N4O6/c1-21-9-5-11(13(23)17(21)27)15(25)19-7-3-4-8-20-16(26)12-6-10-22(2)18(28)14(12)24/h5-6,9-10,23-24H,3-4,7-8H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyPLFFZNCFULVLSS-UHFFFAOYSA-N
MW390.40 g/mol
LogP-0.56
Rot. Bonds7

About 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide

3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 54711325) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID54711325
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C18H22N4O6/c1-21-9-5-11(13(23)17(21)27)15(25)19-7-3-4-8-20-16(26)12-6-10-22(2)18(28)14(12)24/h5-6,9-10,23-24H,3-4,7-8H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyPLFFZNCFULVLSS-UHFFFAOYSA-N
XLogP-0.56
TPSA142.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 54711325) is 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.
What is the InChIKey of 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is PLFFZNCFULVLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-21-9-5-11(13(23)17(21)27)15(25)19-7-3-4-8-20-16(26)12-6-10-22(2)18(28)14(12)24/h5-6,9-10,23-24H,3-4,7-8H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 390.40 g/mol, XLogP of -0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 54711325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).