N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide

C20H24N4O3 — CID 46971413

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCCn3c(C)cc(C)nc3=O)ccc21
InChIInChI=1S/C20H24N4O3/c1-13-11-14(2)23(20(27)21-13)9-4-5-19(26)22-17-6-7-18-16(12-17)8-10-24(18)15(3)25/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,22,26)
InChIKeyNTNUXVORVZKSIQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.19
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide (PubChem CID 46971413) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
PubChem CID46971413
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCCn3c(C)cc(C)nc3=O)ccc21
InChIInChI=1S/C20H24N4O3/c1-13-11-14(2)23(20(27)21-13)9-4-5-19(26)22-17-6-7-18-16(12-17)8-10-24(18)15(3)25/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,22,26)
InChIKeyNTNUXVORVZKSIQ-UHFFFAOYSA-N
XLogP2.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide 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-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 31517635
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 18269767
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,3-benzothiazol-2-yl)butanamide
CID 32645878
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35805869
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide (CID 46971413) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide is CC(=O)N1CCc2cc(NC(=O)CCCn3c(C)cc(C)nc3=O)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
The InChIKey is NTNUXVORVZKSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-11-14(2)23(20(27)21-13)9-4-5-19(26)22-17-6-7-18-16(12-17)8-10-24(18)15(3)25/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,22,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide has a molecular weight of 368.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 46971413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).