3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide

C12H17N3O4 — CID 54684255

IUPAC3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1[nH]ccc(=O)c1O
InChIInChI=1S/C12H17N3O4/c1-7(2)5-14-9(17)6-15-12(19)10-11(18)8(16)3-4-13-10/h3-4,7,18H,5-6H2,1-2H3,(H,13,16)(H,14,17)(H,15,19)
InChIKeyCEMLXBMVBDDNQE-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.42
Rot. Bonds5

About 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide

3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 54684255) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID54684255
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1[nH]ccc(=O)c1O
InChIInChI=1S/C12H17N3O4/c1-7(2)5-14-9(17)6-15-12(19)10-11(18)8(16)3-4-13-10/h3-4,7,18H,5-6H2,1-2H3,(H,13,16)(H,14,17)(H,15,19)
InChIKeyCEMLXBMVBDDNQE-UHFFFAOYSA-N
XLogP-0.42
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide (CID 54684255) is 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide is CC(C)CNC(=O)CNC(=O)c1[nH]ccc(=O)c1O.
What is the InChIKey of 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CEMLXBMVBDDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)5-14-9(17)6-15-12(19)10-11(18)8(16)3-4-13-10/h3-4,7,18H,5-6H2,1-2H3,(H,13,16)(H,14,17)(H,15,19).
What are the key properties of 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide?
3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 54684255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).