5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid

C10H12N2O3 — CID 130268268

IUPAC5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cn(CC2CC2)c1=O
InChIInChI=1S/C10H12N2O3/c11-8-3-7(10(14)15)5-12(9(8)13)4-6-1-2-6/h3,5-6H,1-2,4,11H2,(H,14,15)
InChIKeyFSRODGWCQRVICM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.54
Rot. Bonds3

About 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid

5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 130268268) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid
PubChem CID130268268
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cn(CC2CC2)c1=O
InChIInChI=1S/C10H12N2O3/c11-8-3-7(10(14)15)5-12(9(8)13)4-6-1-2-6/h3,5-6H,1-2,4,11H2,(H,14,15)
InChIKeyFSRODGWCQRVICM-UHFFFAOYSA-N
XLogP0.54
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 10750322
5-amino-2-cyclopropyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 19858327
1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 61728948
1-Methyl-6-oxo-5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 66844870
Methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
CID 130268104
Sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
CID 153471960
3-Amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid;carbanide;ZINC
CID 172592774
3-Amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 172592775
4-Amino-1-[(1-methylcyclopropyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 175530671
1-[2-(Cyclopropylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 28543008
1-[2-(Cyclopropylmethylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 29770329
1-[2-[Cyclopropyl(methyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 54957143

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid (CID 130268268) is 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid is Nc1cc(C(=O)O)cn(CC2CC2)c1=O.
What is the InChIKey of 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is FSRODGWCQRVICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8-3-7(10(14)15)5-12(9(8)13)4-6-1-2-6/h3,5-6H,1-2,4,11H2,(H,14,15).
What are the key properties of 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid?
5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 130268268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).