methyl 2-amino-3-carbamoylpyridine-4-carboxylate

C8H9N3O3 — CID 174835549

IUPACmethyl 2-amino-3-carbamoylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N)c1C(N)=O
InChIInChI=1S/C8H9N3O3/c1-14-8(13)4-2-3-11-6(9)5(4)7(10)12/h2-3H,1H3,(H2,9,11)(H2,10,12)
InChIKeyHVAQKYFLMXRAOZ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.45
Rot. Bonds2

About methyl 2-amino-3-carbamoylpyridine-4-carboxylate

methyl 2-amino-3-carbamoylpyridine-4-carboxylate (PubChem CID 174835549) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl 2-amino-3-carbamoylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-carbamoylpyridine-4-carboxylate
PubChem CID174835549
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl 2-amino-3-carbamoylpyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N)c1C(N)=O
InChIInChI=1S/C8H9N3O3/c1-14-8(13)4-2-3-11-6(9)5(4)7(10)12/h2-3H,1H3,(H2,9,11)(H2,10,12)
InChIKeyHVAQKYFLMXRAOZ-UHFFFAOYSA-N
XLogP-0.45
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-3-[(Z)-hex-2-en-2-yl]pyridine-4-carboxylate
CID 168905703
methyl 2-amino-4-methoxypyridine-3-carboxylate
CID 131557944
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893
methyl 2-amino-4-cyanopyridine-3-carboxylate
CID 130777636
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
1-(4-acetyl-2-amino-3-pyridinyl)prop-2-en-1-one
CID 174427058
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 3-hydroxy-2-iodopyridine-4-carboxylate
CID 167511597
4-(4-acetamidophenyl)-2-aminopyridine-3-carboxamide
CID 175249164
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-carbamoylpyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-3-carbamoylpyridine-4-carboxylate (CID 174835549) is methyl 2-amino-3-carbamoylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-carbamoylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-carbamoylpyridine-4-carboxylate is COC(=O)c1ccnc(N)c1C(N)=O.
What is the InChIKey of methyl 2-amino-3-carbamoylpyridine-4-carboxylate?
The InChIKey is HVAQKYFLMXRAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-8(13)4-2-3-11-6(9)5(4)7(10)12/h2-3H,1H3,(H2,9,11)(H2,10,12).
What are the key properties of methyl 2-amino-3-carbamoylpyridine-4-carboxylate?
methyl 2-amino-3-carbamoylpyridine-4-carboxylate has a molecular weight of 195.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-carbamoylpyridine-4-carboxylate is sourced from PubChem (CID 174835549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).