methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate

C13H15N3O4 — CID 100784803

IUPACmethyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)C#N)cnc1OC
InChIInChI=1S/C13H15N3O4/c1-13(2,7-14)12(18)16-8-5-9(11(17)20-4)10(19-3)15-6-8/h5-6H,1-4H3,(H,16,18)
InChIKeyULJRSBCRHPWPEG-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.37
Rot. Bonds4

About methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate

methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate (PubChem CID 100784803) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
PubChem CID100784803
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemethyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C(C)(C)C#N)cnc1OC
InChIInChI=1S/C13H15N3O4/c1-13(2,7-14)12(18)16-8-5-9(11(17)20-4)10(19-3)15-6-8/h5-6H,1-4H3,(H,16,18)
InChIKeyULJRSBCRHPWPEG-UHFFFAOYSA-N
XLogP1.37
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[2-[(4-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]-2-methoxypyridine-3-carboxylate
CID 100784746
methyl 5-[[2-(4-fluorophenyl)-2-(methanesulfonamido)propanoyl]amino]-2-methoxypyridine-3-carboxylate
CID 133167224
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
2-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 60778681
3-(5-bromo-2-methoxy-3-pyridinyl)-3-oxopropanenitrile;methyl 5-bromo-2-methoxypyridine-3-carboxylate
CID 158631727
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
2,2,2-trifluoroethyl 2-[(5-carbamoyl-6-methoxy-3-pyridinyl)amino]-2-oxoacetate
CID 164752222
amino 5-tert-butyl-2-methoxypyridine-3-carboxylate
CID 177260803
2-methoxy-N-(6-methoxy-5-methyl-3-pyridinyl)-2-methylpentanamide
CID 133205587
2-cyano-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 131018846
N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
CID 115174966

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate (CID 100784803) is methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate is COC(=O)c1cc(NC(=O)C(C)(C)C#N)cnc1OC.
What is the InChIKey of methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate?
The InChIKey is ULJRSBCRHPWPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-13(2,7-14)12(18)16-8-5-9(11(17)20-4)10(19-3)15-6-8/h5-6H,1-4H3,(H,16,18).
What are the key properties of methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate?
methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 100784803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).