2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide

C18H22N4O3 — CID 99977577

IUPAC2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22N4O3/c1-21-7-3-5-15(21)17(23)18(24)20-13-16(14-4-2-6-19-12-14)22-8-10-25-11-9-22/h2-7,12,16H,8-11,13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyFXJHKBXFIINYKA-INIZCTEOSA-N
MW342.40 g/mol
LogP0.79
Rot. Bonds6

About 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide

2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide (PubChem CID 99977577) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
PubChem CID99977577
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
SMILESCn1cccc1C(=O)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C18H22N4O3/c1-21-7-3-5-15(21)17(23)18(24)20-13-16(14-4-2-6-19-12-14)22-8-10-25-11-9-22/h2-7,12,16H,8-11,13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyFXJHKBXFIINYKA-INIZCTEOSA-N
XLogP0.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide 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

methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 119065350
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide (CID 99977577) is 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide is Cn1cccc1C(=O)C(=O)NC[C@@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide?
The InChIKey is FXJHKBXFIINYKA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-7-3-5-15(21)17(23)18(24)20-13-16(14-4-2-6-19-12-14)22-8-10-25-11-9-22/h2-7,12,16H,8-11,13H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide?
2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide has a molecular weight of 342.40 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide is sourced from PubChem (CID 99977577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).