(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid

C15H20N4O4 — CID 59456971

IUPAC(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
SMILESNc1ncc(/C=C/C(=O)O)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O4/c16-14-12(9-11(10-18-14)1-2-13(20)21)15(22)17-3-4-19-5-7-23-8-6-19/h1-2,9-10H,3-8H2,(H2,16,18)(H,17,22)(H,20,21)/b2-1+
InChIKeyPOHZXKHQSARJCV-OWOJBTEDSA-N
MW320.35 g/mol
LogP-0.18
Rot. Bonds6

About (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid

(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 59456971) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID59456971
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
SMILESNc1ncc(/C=C/C(=O)O)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O4/c16-14-12(9-11(10-18-14)1-2-13(20)21)15(22)17-3-4-19-5-7-23-8-6-19/h1-2,9-10H,3-8H2,(H2,16,18)(H,17,22)(H,20,21)/b2-1+
InChIKeyPOHZXKHQSARJCV-OWOJBTEDSA-N
XLogP-0.18
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-amino-5-[(2-morpholin-4-ylethylamino)methyl]-3-pyridinyl]prop-2-enoic acid
CID 66966503
2-amino-5-[3-[1-(1H-indol-2-yl)ethyl-methylamino]-3-oxoprop-1-enyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 66966332
2-amino-5-chloro-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 114921931
3-[6-[(2-morpholin-4-ylacetyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 123951994
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid
CID 66967513
(E)-3-[3-(2-morpholin-4-ylethyl)-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl]prop-2-enoic acid
CID 66967509
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid (CID 59456971) is (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid is Nc1ncc(/C=C/C(=O)O)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is POHZXKHQSARJCV-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H20N4O4/c16-14-12(9-11(10-18-14)1-2-13(20)21)15(22)17-3-4-19-5-7-23-8-6-19/h1-2,9-10H,3-8H2,(H2,16,18)(H,17,22)(H,20,21)/b2-1+.
What are the key properties of (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid?
(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 320.35 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 59456971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).