N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide

C20H24N4O3 — CID 22517260

IUPACN-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H24N4O3/c25-19(22-13-16-5-2-1-3-6-16)20(26)23-15-18(17-7-4-8-21-14-17)24-9-11-27-12-10-24/h1-8,14,18H,9-13,15H2,(H,22,25)(H,23,26)
InChIKeyQUYAIDCQWWVGIG-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.89
Rot. Bonds6

About N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide

N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide (PubChem CID 22517260) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
PubChem CID22517260
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H24N4O3/c25-19(22-13-16-5-2-1-3-6-16)20(26)23-15-18(17-7-4-8-21-14-17)24-9-11-27-12-10-24/h1-8,14,18H,9-13,15H2,(H,22,25)(H,23,26)
InChIKeyQUYAIDCQWWVGIG-UHFFFAOYSA-N
XLogP0.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]thiourea
CID 92661893
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 7644945
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-[(4-methoxyphenyl)methyl]-N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773843
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773845
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 27554903
N-(2-morpholin-4-ylethyl)-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 27564085

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
The IUPAC name of N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide (CID 22517260) is N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
The canonical SMILES for N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide is O=C(NCc1ccccc1)C(=O)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
The InChIKey is QUYAIDCQWWVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(22-13-16-5-2-1-3-6-16)20(26)23-15-18(17-7-4-8-21-14-17)24-9-11-27-12-10-24/h1-8,14,18H,9-13,15H2,(H,22,25)(H,23,26).
What are the key properties of N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide has a molecular weight of 368.44 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide is sourced from PubChem (CID 22517260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).