ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate

C10H13N3O3 — CID 178112074

IUPACethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CNC(N)=O)nc1
InChIInChI=1S/C10H13N3O3/c1-2-16-9(14)7-3-4-8(12-5-7)6-13-10(11)15/h3-5H,2,6H2,1H3,(H3,11,13,15)
InChIKeyWVWJIHIIVHZNIZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.43
Rot. Bonds4

About ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate

ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate (PubChem CID 178112074) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
PubChem CID178112074
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(CNC(N)=O)nc1
InChIInChI=1S/C10H13N3O3/c1-2-16-9(14)7-3-4-8(12-5-7)6-13-10(11)15/h3-5H,2,6H2,1H3,(H3,11,13,15)
InChIKeyWVWJIHIIVHZNIZ-UHFFFAOYSA-N
XLogP0.43
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-(methylsulfonyloxymethyl)pyridine-3-carboxylate
CID 10988996
ethyl 6-(azidomethyl)pyridine-3-carboxylate
CID 118667100
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
methyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridazine-3-carboxylate
CID 122554528
ethyl 6-butan-2-ylpyridine-3-carboxylate
CID 143474264
(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
6-[(4-ethoxycarbonylpyrazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 81497892
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate (CID 178112074) is ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(CNC(N)=O)nc1.
What is the InChIKey of ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate?
The InChIKey is WVWJIHIIVHZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-16-9(14)7-3-4-8(12-5-7)6-13-10(11)15/h3-5H,2,6H2,1H3,(H3,11,13,15).
What are the key properties of ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate?
ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 178112074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).