N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C16H21N5O3 — CID 146044826

IUPACN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1nn(C)c2c1C(NC(=O)Cn1cc(C)c(=O)[nH]c1=O)CCC2
InChIInChI=1S/C16H21N5O3/c1-9-7-21(16(24)18-15(9)23)8-13(22)17-11-5-4-6-12-14(11)10(2)19-20(12)3/h7,11H,4-6,8H2,1-3H3,(H,17,22)(H,18,23,24)
InChIKeyJZTFYKGXYHDFDW-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.08
Rot. Bonds3

About N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 146044826) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID146044826
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1nn(C)c2c1C(NC(=O)Cn1cc(C)c(=O)[nH]c1=O)CCC2
InChIInChI=1S/C16H21N5O3/c1-9-7-21(16(24)18-15(9)23)8-13(22)17-11-5-4-6-12-14(11)10(2)19-20(12)3/h7,11H,4-6,8H2,1-3H3,(H,17,22)(H,18,23,24)
InChIKeyJZTFYKGXYHDFDW-UHFFFAOYSA-N
XLogP0.08
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide with MolForge

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Related Compounds

N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726
N-[(1S,2R)-2-(cyclohexylamino)cyclobutyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56884269
3-(benzenesulfonyl)-N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 146038147
5-cyclohexyl-N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-pyrazole-4-carboxamide
CID 146042455
(2S)-N-cyclohexyl-3-hydroxy-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanamide
CID 6723546
N,1,3-trimethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 83861915
N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 146038471
N-[(3R,4S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 72919470
(1S,3S,4S)-N-(cyclopropylmethyl)-3-hydroxy-4-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 157012689
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91786566
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
CID 56748899
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 146044826) is N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1nn(C)c2c1C(NC(=O)Cn1cc(C)c(=O)[nH]c1=O)CCC2.
What is the InChIKey of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is JZTFYKGXYHDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-9-7-21(16(24)18-15(9)23)8-13(22)17-11-5-4-6-12-14(11)10(2)19-20(12)3/h7,11H,4-6,8H2,1-3H3,(H,17,22)(H,18,23,24).
What are the key properties of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 146044826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).