3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

C16H17N7O3 — CID 90651564

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17N7O3/c1-22(14(25)6-8-23-7-5-13(24)17-16(23)26)10-11-3-2-4-12(9-11)15-18-20-21-19-15/h2-5,7,9H,6,8,10H2,1H3,(H,17,24,26)(H,18,19,20,21)
InChIKeyFKHDSLBJYAJCLA-UHFFFAOYSA-N
MW355.36 g/mol
LogP-0.23
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (PubChem CID 90651564) has the molecular formula C16H17N7O3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
PubChem CID90651564
Molecular FormulaC16H17N7O3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
SMILESCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H17N7O3/c1-22(14(25)6-8-23-7-5-13(24)17-16(23)26)10-11-3-2-4-12(9-11)15-18-20-21-19-15/h2-5,7,9H,6,8,10H2,1H3,(H,17,24,26)(H,18,19,20,21)
InChIKeyFKHDSLBJYAJCLA-UHFFFAOYSA-N
XLogP-0.23
TPSA129.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
3-(3-but-3-ynyldiazirin-3-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166418818
2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 91777143
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 90649019
2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
CID 91795809
N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 91771867
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086
N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 70802934
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480570
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide
CID 91844210
2-[[3-(2H-tetrazol-5-yl)phenyl]methyl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide (CID 90651564) is 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
The InChIKey is FKHDSLBJYAJCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3/c1-22(14(25)6-8-23-7-5-13(24)17-16(23)26)10-11-3-2-4-12(9-11)15-18-20-21-19-15/h2-5,7,9H,6,8,10H2,1H3,(H,17,24,26)(H,18,19,20,21).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide has a molecular weight of 355.36 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 90651564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).