2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

C14H23N3O4 — CID 82217841

IUPAC2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCN(C)C
InChIInChI=1S/C14H23N3O4/c1-10-7-12(18)14(21)11(8-16(4)9-13(19)20)17(10)6-5-15(2)3/h7,21H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyVRKKYPBERKMWHA-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.06
Rot. Bonds7

About 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (PubChem CID 82217841) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
PubChem CID82217841
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCN(C)C
InChIInChI=1S/C14H23N3O4/c1-10-7-12(18)14(21)11(8-16(4)9-13(19)20)17(10)6-5-15(2)3/h7,21H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyVRKKYPBERKMWHA-UHFFFAOYSA-N
XLogP-0.06
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-1,6-dimethyl-4-oxopyridine-2-carboxylic acid
CID 54720943
(3-Hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)acetic acid
CID 185983
2-(2-Ethyl-3-hydroxy-4-oxo-1-pyridinyl)acetic acid
CID 21739118
N,N-Diethyl-3-hydroxy-1,6-dimethyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 54704399
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[(E)-4-oxopent-2-en-2-yl]amino]ethyl]amino]acetic acid
CID 57549789
2-[(Dimethylamino)methyl]-1-ethyl-3-hydroxy-6-methylpyridin-4-one
CID 70935181
2-[[3-Hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217107
2-[[Bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
1-Butan-2-yl-2-(diethylaminomethyl)-3-hydroxy-6-methylpyridin-4-one
CID 82217128
2-[(1-Butan-2-yl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl-methylamino]acetic acid
CID 82217130
2-[[1-Butan-2-yl-3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82217131
1-Butan-2-yl-2-[(dimethylamino)methyl]-3-hydroxy-6-methylpyridin-4-one
CID 82217136

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (CID 82217841) is 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is Cc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCN(C)C.
What is the InChIKey of 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The InChIKey is VRKKYPBERKMWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10-7-12(18)14(21)11(8-16(4)9-13(19)20)17(10)6-5-15(2)3/h7,21H,5-6,8-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid has a molecular weight of 297.36 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)ethyl]-3-hydroxy-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is sourced from PubChem (CID 82217841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).