methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate

C13H13N3O4 — CID 134294558

IUPACmethyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate
SMILESC=CC(=O)Nc1cc(C(=O)OC)cc(NC(=O)C=C)n1
InChIInChI=1S/C13H13N3O4/c1-4-11(17)15-9-6-8(13(19)20-3)7-10(14-9)16-12(18)5-2/h4-7H,1-2H2,3H3,(H2,14,15,16,17,18)
InChIKeyFDOJBTWAVCOAGF-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.12
Rot. Bonds5

About methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate

methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate (PubChem CID 134294558) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate
PubChem CID134294558
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Namemethyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate
SMILESC=CC(=O)Nc1cc(C(=O)OC)cc(NC(=O)C=C)n1
InChIInChI=1S/C13H13N3O4/c1-4-11(17)15-9-6-8(13(19)20-3)7-10(14-9)16-12(18)5-2/h4-7H,1-2H2,3H3,(H2,14,15,16,17,18)
InChIKeyFDOJBTWAVCOAGF-UHFFFAOYSA-N
XLogP1.12
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2S)-2-[[2,6-bis(prop-2-enoylamino)pyridine-4-carbonyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 134298272
methyl 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylate
CID 153387484
N-(2-ethyl-6-methylpyrimidin-4-yl)prop-2-enamide
CID 166406906
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
methyl 2-chloro-6-ethenylpyridine-4-carboxylate
CID 86081346
dimethyl 5-ethenoxybenzene-1,3-dicarboxylate
CID 130409792
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
methyl 5-propa-1,2-dienylpyridine-3-carboxylate
CID 134856022
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 2-ethenyl-4-fluoro-1,3-benzothiazole-6-carboxylate
CID 139405053
N-(6-fluoropyrazin-2-yl)prop-2-enamide
CID 167765847
N-(5-methoxypyrimidin-4-yl)prop-2-enamide
CID 166406889

Frequently Asked Questions

What is the IUPAC name of methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate (CID 134294558) is methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate is C=CC(=O)Nc1cc(C(=O)OC)cc(NC(=O)C=C)n1.
What is the InChIKey of methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate?
The InChIKey is FDOJBTWAVCOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-4-11(17)15-9-6-8(13(19)20-3)7-10(14-9)16-12(18)5-2/h4-7H,1-2H2,3H3,(H2,14,15,16,17,18).
What are the key properties of methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate?
methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-bis(prop-2-enoylamino)pyridine-4-carboxylate is sourced from PubChem (CID 134294558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).