4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid

C11H14N2O3 — CID 175530671

IUPAC4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCC1(Cn2cc(C(=O)O)c(N)cc2=O)CC1
InChIInChI=1S/C11H14N2O3/c1-11(2-3-11)6-13-5-7(10(15)16)8(12)4-9(13)14/h4-5H,2-3,6,12H2,1H3,(H,15,16)
InChIKeyDYKYTELHZDWWRI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.93
Rot. Bonds3

About 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid

4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 175530671) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID175530671
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCC1(Cn2cc(C(=O)O)c(N)cc2=O)CC1
InChIInChI=1S/C11H14N2O3/c1-11(2-3-11)6-13-5-7(10(15)16)8(12)4-9(13)14/h4-5H,2-3,6,12H2,1H3,(H,15,16)
InChIKeyDYKYTELHZDWWRI-UHFFFAOYSA-N
XLogP0.93
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 175530671) is 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid is CC1(Cn2cc(C(=O)O)c(N)cc2=O)CC1.
What is the InChIKey of 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is DYKYTELHZDWWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2-3-11)6-13-5-7(10(15)16)8(12)4-9(13)14/h4-5H,2-3,6,12H2,1H3,(H,15,16).
What are the key properties of 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid?
4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 175530671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).