N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide

C20H20N4O4 — CID 67014396

IUPACN'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide
SMILESNC(=O)C(=O)Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H20N4O4/c21-19(26)20(27)23-16-6-4-14(5-7-16)17(25)9-8-15-2-1-3-18(22-15)24-10-12-28-13-11-24/h1-9H,10-13H2,(H2,21,26)(H,23,27)
InChIKeySMQLQVBDTNLQMH-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.24
Rot. Bonds5

About N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide

N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide (PubChem CID 67014396) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide.

Molecular Properties

Compound NameN'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide
PubChem CID67014396
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide
SMILESNC(=O)C(=O)Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H20N4O4/c21-19(26)20(27)23-16-6-4-14(5-7-16)17(25)9-8-15-2-1-3-18(22-15)24-10-12-28-13-11-24/h1-9H,10-13H2,(H2,21,26)(H,23,27)
InChIKeySMQLQVBDTNLQMH-UHFFFAOYSA-N
XLogP1.24
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
1-[2-[[2-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]anilino]-2-oxoacetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 69307126
(1-methylpyrrol-3-yl) N-[4-[(E)-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate
CID 67013315
piperidin-4-yl N-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamate
CID 67013581
[4-[(E)-3-(6-pyrrolidin-1-yl-2-pyridinyl)prop-2-enoyl]phenyl]carbamic acid
CID 69311825
4-[(E)-3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoyl azide
CID 140527248
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]benzamide
CID 69311793
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
thiophen-2-ylmethyl N-[4-[3-(4-morpholin-4-ylquinolin-2-yl)prop-2-enoyl]phenyl]carbamate
CID 67013987
2-morpholin-4-yl-2-oxo-N-[4-[(E)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoyl]phenyl]acetamide
CID 11684723
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide?
The IUPAC name of N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide (CID 67014396) is N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide.
What is the SMILES notation for N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide?
The canonical SMILES for N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide is NC(=O)C(=O)Nc1ccc(C(=O)C=Cc2cccc(N3CCOCC3)n2)cc1.
What is the InChIKey of N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide?
The InChIKey is SMQLQVBDTNLQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c21-19(26)20(27)23-16-6-4-14(5-7-16)17(25)9-8-15-2-1-3-18(22-15)24-10-12-28-13-11-24/h1-9H,10-13H2,(H2,21,26)(H,23,27).
What are the key properties of N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide?
N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide has a molecular weight of 380.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]phenyl]oxamide is sourced from PubChem (CID 67014396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).