methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate

C12H15N3O4 — CID 19855252

IUPACmethyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C12H15N3O4/c1-12(2,11(13)18)15-9(16)8-7(10(17)19-3)5-4-6-14-8/h4-6H,1-3H3,(H2,13,18)(H,15,16)
InChIKeyFCVCFUPHFRSWRS-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.14
Rot. Bonds4

About methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate

methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate (PubChem CID 19855252) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate
PubChem CID19855252
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C12H15N3O4/c1-12(2,11(13)18)15-9(16)8-7(10(17)19-3)5-4-6-14-8/h4-6H,1-3H3,(H2,13,18)(H,15,16)
InChIKeyFCVCFUPHFRSWRS-UHFFFAOYSA-N
XLogP-0.14
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
methyl 2-(2-bromoacetyl)pyridine-3-carboxylate;hydrobromide
CID 173079683
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-[(2-methylpropan-2-yl)oxycarbamoyl]pyridine-3-carboxylic acid
CID 82720780
methyl 2-(3-oxopropanoyl)pyridine-3-carboxylate
CID 57318623
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114155377
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
methyl 2-(2-diazoacetyl)pyridine-3-carboxylate
CID 71413489
methyl 2-(3-aminobenzoyl)pyridine-3-carboxylate
CID 66966592
N-[1-(1-aminoethylideneamino)-2-methyl-1-oxopropan-2-yl]-3-methylpyridine-2-carboxamide
CID 90983709
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate (CID 19855252) is methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1cccnc1C(=O)NC(C)(C)C(N)=O.
What is the InChIKey of methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is FCVCFUPHFRSWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(2,11(13)18)15-9(16)8-7(10(17)19-3)5-4-6-14-8/h4-6H,1-3H3,(H2,13,18)(H,15,16).
What are the key properties of methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate?
methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 265.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 19855252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).