N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C20H23N5O3 — CID 70718296

IUPACN-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)Cc3nc(CC(C)C)no3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23N5O3/c1-12(2)9-16-22-17(28-24-16)11-25(4)20(27)15-10-21-18(23-19(15)26)14-7-5-13(3)6-8-14/h5-8,10,12H,9,11H2,1-4H3,(H,21,23,26)
InChIKeyNLAMKMOKMCPPLB-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70718296) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70718296
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)Cc3nc(CC(C)C)no3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23N5O3/c1-12(2)9-16-22-17(28-24-16)11-25(4)20(27)15-10-21-18(23-19(15)26)14-7-5-13(3)6-8-14/h5-8,10,12H,9,11H2,1-4H3,(H,21,23,26)
InChIKeyNLAMKMOKMCPPLB-UHFFFAOYSA-N
XLogP2.60
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70745592
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718184
N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide
CID 119064683
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70715770
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70704975
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
CID 70774408
2-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 77086666
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147169
2-ethoxy-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875070

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70718296) is N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc(CC(C)C)no3)c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NLAMKMOKMCPPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12(2)9-16-22-17(28-24-16)11-25(4)20(27)15-10-21-18(23-19(15)26)14-7-5-13(3)6-8-14/h5-8,10,12H,9,11H2,1-4H3,(H,21,23,26).
What are the key properties of N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70718296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).