N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

C23H33N5O3 — CID 137294523

IUPACN-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C23H33N5O3/c1-18-20(22(30)26-23(25-18)28-13-15-31-16-14-28)9-10-21(29)24-11-6-12-27(2)17-19-7-4-3-5-8-19/h3-5,7-8H,6,9-17H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeySKJHUIAAPUTAFD-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.49
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 137294523) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID137294523
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCCN(C)Cc1ccccc1
InChIInChI=1S/C23H33N5O3/c1-18-20(22(30)26-23(25-18)28-13-15-31-16-14-28)9-10-21(29)24-11-6-12-27(2)17-19-7-4-3-5-8-19/h3-5,7-8H,6,9-17H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeySKJHUIAAPUTAFD-UHFFFAOYSA-N
XLogP1.49
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide 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

N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137295643
N-methyl-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 135877201
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135667497
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135892671
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 135883436
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
CID 136990446
N-(3,4-dichlorophenyl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898059
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 135667488
N-methyl-3-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 155233546
4-methyl-2-morpholin-4-yl-5-[3-oxo-3-[(3S)-3-phenylpyrrolidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 137232151
N-(1-methylindol-7-yl)-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136535120

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 137294523) is N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCCN(C)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is SKJHUIAAPUTAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-18-20(22(30)26-23(25-18)28-13-15-31-16-14-28)9-10-21(29)24-11-6-12-27(2)17-19-7-4-3-5-8-19/h3-5,7-8H,6,9-17H2,1-2H3,(H,24,29)(H,25,26,30).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 427.55 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 137294523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).