N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide

C18H20N6O3 — CID 126438749

IUPACN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide
SMILESCCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H20N6O3/c1-4-24-15(19-9-20-24)11(3)21-16(25)13-7-5-12(6-8-13)14-10(2)22-18(27)23-17(14)26/h5-9,11H,4H2,1-3H3,(H,21,25)(H2,22,23,26,27)/t11-/m1/s1
InChIKeyOPPRAZNUFGULDL-LLVKDONJSA-N
MW368.40 g/mol
LogP1.14
Rot. Bonds5

About N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide (PubChem CID 126438749) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide
PubChem CID126438749
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide
SMILESCCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H20N6O3/c1-4-24-15(19-9-20-24)11(3)21-16(25)13-7-5-12(6-8-13)14-10(2)22-18(27)23-17(14)26/h5-9,11H,4H2,1-3H3,(H,21,25)(H2,22,23,26,27)/t11-/m1/s1
InChIKeyOPPRAZNUFGULDL-LLVKDONJSA-N
XLogP1.14
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)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-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 118795480
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-2-(phenylsulfanylmethyl)-1H-pyrimidine-5-carboxamide
CID 97125920
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
2-[4-[1-(2-ethyl-1,2,4-triazol-3-yl)propylcarbamoyl]phenyl]pyridine-4-carboxylic acid
CID 121497701
2-[4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]pyridine-4-carboxylic acid
CID 126428746
4-(4-methylpiperazin-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 95148939
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 118777952
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125435125

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide (CID 126438749) is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide is CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2c(C)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
The InChIKey is OPPRAZNUFGULDL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-4-24-15(19-9-20-24)11(3)21-16(25)13-7-5-12(6-8-13)14-10(2)22-18(27)23-17(14)26/h5-9,11H,4H2,1-3H3,(H,21,25)(H2,22,23,26,27)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide?
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide has a molecular weight of 368.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 126438749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).