N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide

C24H24N4O3 — CID 135910023

IUPACN-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide
SMILESCc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H24N4O3/c1-15-18(23(30)28-22(25-15)16-7-3-2-4-8-16)13-14-21(29)27-20-10-6-5-9-19(20)24(31)26-17-11-12-17/h2-10,17H,11-14H2,1H3,(H,26,31)(H,27,29)(H,25,28,30)
InChIKeyVFCHMEBXGSMECN-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.21
Rot. Bonds7

About N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide

N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide (PubChem CID 135910023) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide
PubChem CID135910023
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide
SMILESCc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C24H24N4O3/c1-15-18(23(30)28-22(25-15)16-7-3-2-4-8-16)13-14-21(29)27-20-10-6-5-9-19(20)24(31)26-17-11-12-17/h2-10,17H,11-14H2,1H3,(H,26,31)(H,27,29)(H,25,28,30)
InChIKeyVFCHMEBXGSMECN-UHFFFAOYSA-N
XLogP3.21
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide 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-(5-methyl-1,2-oxazol-3-yl)-3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanamide
CID 135676905
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopentyl-2-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 28542655
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclopropyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279897
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
2-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 60662463
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473476
3-[2-(3-hydroxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 136889147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide (CID 135910023) is N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide is Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide?
The InChIKey is VFCHMEBXGSMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-18(23(30)28-22(25-15)16-7-3-2-4-8-16)13-14-21(29)27-20-10-6-5-9-19(20)24(31)26-17-11-12-17/h2-10,17H,11-14H2,1H3,(H,26,31)(H,27,29)(H,25,28,30).
What are the key properties of N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide?
N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(4-methyl-6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoylamino]benzamide is sourced from PubChem (CID 135910023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).