methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate

C10H10N2O3 — CID 169478967

IUPACmethyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cncc(C(N)=O)c1
InChIInChI=1S/C10H10N2O3/c1-15-9(13)3-2-7-4-8(10(11)14)6-12-5-7/h2-6H,1H3,(H2,11,14)
InChIKeyQEXWMYIPFDHJAB-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.37
Rot. Bonds3

About methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate

methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate (PubChem CID 169478967) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
PubChem CID169478967
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cncc(C(N)=O)c1
InChIInChI=1S/C10H10N2O3/c1-15-9(13)3-2-7-4-8(10(11)14)6-12-5-7/h2-6H,1H3,(H2,11,14)
InChIKeyQEXWMYIPFDHJAB-UHFFFAOYSA-N
XLogP0.37
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate
CID 45102648
methyl (E)-3-pyrimidin-5-ylprop-2-enoate
CID 18470237
methyl 3-(5-cyano-3-pyridinyl)prop-2-enoate
CID 169478735
ethyl (E)-3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 134511046
methyl (E)-3-[5-(4-methylphenyl)-3-pyridinyl]prop-2-enoate
CID 86756173
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide
CID 53239975
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
CID 178024402
tert-butyl (E)-3-[5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051609
methyl 5-(3-aminoprop-1-enyl)pyridine-3-carboxylate
CID 169463930

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate (CID 169478967) is methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate is COC(=O)C=Cc1cncc(C(N)=O)c1.
What is the InChIKey of methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate?
The InChIKey is QEXWMYIPFDHJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-9(13)3-2-7-4-8(10(11)14)6-12-5-7/h2-6H,1H3,(H2,11,14).
What are the key properties of methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate?
methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate has a molecular weight of 206.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 169478967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).