1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

C12H17N3O4 — CID 21264852

IUPAC1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCC(=O)NC(C)Cn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C12H17N3O4/c1-6-4-9(17)15(5-7(2)14-8(3)16)12(19)10(6)11(13)18/h4,7,19H,5H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyBRMCQUUULOGRKC-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.51
Rot. Bonds4

About 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide

1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 21264852) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID21264852
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCC(=O)NC(C)Cn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C12H17N3O4/c1-6-4-9(17)15(5-7(2)14-8(3)16)12(19)10(6)11(13)18/h4,7,19H,5H2,1-3H3,(H2,13,18)(H,14,16)
InChIKeyBRMCQUUULOGRKC-UHFFFAOYSA-N
XLogP-0.51
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 21264852) is 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is CC(=O)NC(C)Cn1c(O)c(C(N)=O)c(C)cc1=O.
What is the InChIKey of 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is BRMCQUUULOGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-4-9(17)15(5-7(2)14-8(3)16)12(19)10(6)11(13)18/h4,7,19H,5H2,1-3H3,(H2,13,18)(H,14,16).
What are the key properties of 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidopropyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 21264852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).