N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide

C24H35N5O3 — CID 16554628

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CC(C)CC(C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18H,10-15,25H2,1-4H3,(H,26,31,32)
InChIKeyDDNGGOZHLQCPIB-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.13
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 16554628) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID16554628
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CC(C)CC(C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H35N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18H,10-15,25H2,1-4H3,(H,26,31,32)
InChIKeyDDNGGOZHLQCPIB-UHFFFAOYSA-N
XLogP2.13
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide
CID 8894412
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylbutanamide
CID 24686728
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8800403
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 24979911
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846346
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)pentanamide
CID 9101793
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 41320303
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 24980195
2-[4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 29166370
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 4825513
(1S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2,2-dichloro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 31302792
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2,2-diphenylacetamide
CID 4816328

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide (CID 16554628) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1CC(C)CC(C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is DDNGGOZHLQCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-16(2)11-28(20(30)15-27-12-17(3)10-18(4)13-27)21-22(25)29(24(32)26-23(21)31)14-19-8-6-5-7-9-19/h5-9,16-18H,10-15,25H2,1-4H3,(H,26,31,32).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 441.58 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16554628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).