(E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid

C14H12N2O4S — CID 102822056

IUPAC(E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid
SMILESCOc1ccsc1C(=O)Nc1cc(/C=C/C(=O)O)ccn1
InChIInChI=1S/C14H12N2O4S/c1-20-10-5-7-21-13(10)14(19)16-11-8-9(4-6-15-11)2-3-12(17)18/h2-8H,1H3,(H,17,18)(H,15,16,19)/b3-2+
InChIKeyKWGZOMCTLZJXIQ-NSCUHMNNSA-N
MW304.33 g/mol
LogP2.50
Rot. Bonds5

About (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid

(E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid (PubChem CID 102822056) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid
PubChem CID102822056
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name(E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid
SMILESCOc1ccsc1C(=O)Nc1cc(/C=C/C(=O)O)ccn1
InChIInChI=1S/C14H12N2O4S/c1-20-10-5-7-21-13(10)14(19)16-11-8-9(4-6-15-11)2-3-12(17)18/h2-8H,1H3,(H,17,18)(H,15,16,19)/b3-2+
InChIKeyKWGZOMCTLZJXIQ-NSCUHMNNSA-N
XLogP2.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.50
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

(E)-3-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822077
(E)-3-[2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-4-pyridinyl]prop-2-enoic acid
CID 102822032
(E)-3-[2-(3,3-dimethylbutanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822080
(E)-3-[2-(hexanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822109
(E)-3-[2-[(3-fluorobenzoyl)amino]-4-pyridinyl]prop-2-enoic acid
CID 102822099
(E)-3-[2-(3-methylpentanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822102
(E)-3-[2-(2-propylpentanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822014
(E)-3-[2-(methoxycarbonylsulfamoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822187
3-(2-methoxycarbonyl-4-pyridinyl)prop-2-enoic acid
CID 169460728
(E)-3-[2-(3-methoxypropylsulfonylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822156
3-methoxy-N-(2-methoxy-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 71983286
(E)-3-[2-(tert-butylsulfonylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822185

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid (CID 102822056) is (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid is COc1ccsc1C(=O)Nc1cc(/C=C/C(=O)O)ccn1.
What is the InChIKey of (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid?
The InChIKey is KWGZOMCTLZJXIQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-20-10-5-7-21-13(10)14(19)16-11-8-9(4-6-15-11)2-3-12(17)18/h2-8H,1H3,(H,17,18)(H,15,16,19)/b3-2+.
What are the key properties of (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid?
(E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid has a molecular weight of 304.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(3-methoxythiophene-2-carbonyl)amino]-4-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 102822056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).