1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

C18H23N5O6 — CID 15883746

IUPAC1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCNCCn2c(O)c(C(N)=O)c(C)cc2=O)c(O)c1C(N)=O
InChIInChI=1S/C18H23N5O6/c1-9-7-11(24)22(17(28)13(9)15(19)26)5-3-21-4-6-23-12(25)8-10(2)14(16(20)27)18(23)29/h7-8,21,28-29H,3-6H2,1-2H3,(H2,19,26)(H2,20,27)
InChIKeyVYHUQMFTMSLKDW-UHFFFAOYSA-N
MW405.41 g/mol
LogP-1.47
Rot. Bonds8

About 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 15883746) has the molecular formula C18H23N5O6 and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID15883746
Molecular FormulaC18H23N5O6
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC Name1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCNCCn2c(O)c(C(N)=O)c(C)cc2=O)c(O)c1C(N)=O
InChIInChI=1S/C18H23N5O6/c1-9-7-11(24)22(17(28)13(9)15(19)26)5-3-21-4-6-23-12(25)8-10(2)14(16(20)27)18(23)29/h7-8,21,28-29H,3-6H2,1-2H3,(H2,19,26)(H2,20,27)
InChIKeyVYHUQMFTMSLKDW-UHFFFAOYSA-N
XLogP-1.47
TPSA182.67 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 15883746) is 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is Cc1cc(=O)n(CCNCCn2c(O)c(C(N)=O)c(C)cc2=O)c(O)c1C(N)=O.
What is the InChIKey of 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is VYHUQMFTMSLKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O6/c1-9-7-11(24)22(17(28)13(9)15(19)26)5-3-21-4-6-23-12(25)8-10(2)14(16(20)27)18(23)29/h7-8,21,28-29H,3-6H2,1-2H3,(H2,19,26)(H2,20,27).
What are the key properties of 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 405.41 g/mol, XLogP of -1.47, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethylamino]ethyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 15883746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).