N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide

C17H24N8O3 — CID 146045074

IUPACN-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c(=O)n1
InChIInChI=1S/C17H24N8O3/c1-11-6-12(2)25(17(28)19-11)9-16(27)21-14-5-3-4-13(7-14)20-15(26)8-24-10-18-22-23-24/h6,10,13-14H,3-5,7-9H2,1-2H3,(H,20,26)(H,21,27)/t13-,14-/m1/s1
InChIKeyMJIKQUGDSITILO-ZIAGYGMSSA-N
MW388.43 g/mol
LogP-0.91
Rot. Bonds6

About N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide

N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 146045074) has the molecular formula C17H24N8O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide
PubChem CID146045074
Molecular FormulaC17H24N8O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC NameN-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c(=O)n1
InChIInChI=1S/C17H24N8O3/c1-11-6-12(2)25(17(28)19-11)9-16(27)21-14-5-3-4-13(7-14)20-15(26)8-24-10-18-22-23-24/h6,10,13-14H,3-5,7-9H2,1-2H3,(H,20,26)(H,21,27)/t13-,14-/m1/s1
InChIKeyMJIKQUGDSITILO-ZIAGYGMSSA-N
XLogP-0.91
TPSA136.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 94151419
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 90653061
3-(2-ethylimidazol-1-yl)-N-[(1S,3R)-3-[[2-(tetrazol-1-yl)acetyl]amino]cyclohexyl]propanamide;formic acid
CID 154922434
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
N-(1-propanoylazepan-3-yl)-2-(tetrazol-1-yl)acetamide
CID 70733307
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 176503419
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 134029552
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 91761499
1-[2-(cyclohexylamino)ethyl]-4,6-dimethylpyrimidin-2-one
CID 62564492
N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 128981229
N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 7588433

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide (CID 146045074) is N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)Cn3cnnn3)C2)c(=O)n1.
What is the InChIKey of N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is MJIKQUGDSITILO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N8O3/c1-11-6-12(2)25(17(28)19-11)9-16(27)21-14-5-3-4-13(7-14)20-15(26)8-24-10-18-22-23-24/h6,10,13-14H,3-5,7-9H2,1-2H3,(H,20,26)(H,21,27)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide?
N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of -0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 146045074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).