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

C9H13N3O3 — CID 18185927

IUPAC1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCN)c(O)c1C(N)=O
InChIInChI=1S/C9H13N3O3/c1-5-4-6(13)12(3-2-10)9(15)7(5)8(11)14/h4,15H,2-3,10H2,1H3,(H2,11,14)
InChIKeyUNPZMRVQTWVYKV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.08
Rot. Bonds3

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

1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 18185927) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID18185927
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(CCN)c(O)c1C(N)=O
InChIInChI=1S/C9H13N3O3/c1-5-4-6(13)12(3-2-10)9(15)7(5)8(11)14/h4,15H,2-3,10H2,1H3,(H2,11,14)
InChIKeyUNPZMRVQTWVYKV-UHFFFAOYSA-N
XLogP-1.08
TPSA111.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 18185927) is 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is Cc1cc(=O)n(CCN)c(O)c1C(N)=O.
What is the InChIKey of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is UNPZMRVQTWVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-4-6(13)12(3-2-10)9(15)7(5)8(11)14/h4,15H,2-3,10H2,1H3,(H2,11,14).
What are the key properties of 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 18185927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).