3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid

C14H17N3O4 — CID 123951994

IUPAC3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(NC(=O)CN2CCOCC2)nc1
InChIInChI=1S/C14H17N3O4/c18-13(10-17-5-7-21-8-6-17)16-12-3-1-11(9-15-12)2-4-14(19)20/h1-4,9H,5-8,10H2,(H,19,20)(H,15,16,18)
InChIKeyPSWPYKHXEDXFJW-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.45
Rot. Bonds5

About 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid

3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid (PubChem CID 123951994) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid
PubChem CID123951994
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(NC(=O)CN2CCOCC2)nc1
InChIInChI=1S/C14H17N3O4/c18-13(10-17-5-7-21-8-6-17)16-12-3-1-11(9-15-12)2-4-14(19)20/h1-4,9H,5-8,10H2,(H,19,20)(H,15,16,18)
InChIKeyPSWPYKHXEDXFJW-UHFFFAOYSA-N
XLogP0.45
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.45
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-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
ethane;(E)-3-[6-[(4-methoxy-4-oxobutanoyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 144568230
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enoic acid
CID 173100165
(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 59456971
(E)-3-[6-[[(3R)-1-phenylpyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid;hydrochloride
CID 68962444
3-[6-[[(3R)-1-phenylpyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid;hydrochloride
CID 68962447
(E)-3-[6-(propylamino)-3-pyridinyl]prop-2-enoic acid
CID 126759173
(E)-3-[6-[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68961913
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
3-[6-[[1-[(4-methylphenyl)carbamoyl]piperidin-4-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68960336
(E)-3-[6-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68959173

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid (CID 123951994) is 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(NC(=O)CN2CCOCC2)nc1.
What is the InChIKey of 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid?
The InChIKey is PSWPYKHXEDXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-13(10-17-5-7-21-8-6-17)16-12-3-1-11(9-15-12)2-4-14(19)20/h1-4,9H,5-8,10H2,(H,19,20)(H,15,16,18).
What are the key properties of 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid?
3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 123951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).