2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide

C19H24N6O4 — CID 30836253

IUPAC2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc2n(C)c1=O
InChIInChI=1S/C19H24N6O4/c1-20-14(26)11-25-18(28)15-13(5-6-21-16(15)22(2)19(25)29)23-7-9-24(10-8-23)17(27)12-3-4-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,20,26)
InChIKeyNKMOYGUKINOUGR-UHFFFAOYSA-N
MW400.44 g/mol
LogP-1.10
Rot. Bonds4

About 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide

2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide (PubChem CID 30836253) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide
PubChem CID30836253
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc2n(C)c1=O
InChIInChI=1S/C19H24N6O4/c1-20-14(26)11-25-18(28)15-13(5-6-21-16(15)22(2)19(25)29)23-7-9-24(10-8-23)17(27)12-3-4-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,20,26)
InChIKeyNKMOYGUKINOUGR-UHFFFAOYSA-N
XLogP-1.10
TPSA109.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-tert-butyl-2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 30836255
5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 30836245
2-[5-(4-acetylpiperazin-1-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30836191
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 18567245
2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16801622
[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
CID 121069978
[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 128850011
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
CID 26841320
2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 26841382
N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 121070045
2-(5-ethoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 18567398

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide (CID 30836253) is 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide is CNC(=O)Cn1c(=O)c2c(N3CCN(C(=O)C4CC4)CC3)ccnc2n(C)c1=O.
What is the InChIKey of 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide?
The InChIKey is NKMOYGUKINOUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-20-14(26)11-25-18(28)15-13(5-6-21-16(15)22(2)19(25)29)23-7-9-24(10-8-23)17(27)12-3-4-12/h5-6,12H,3-4,7-11H2,1-2H3,(H,20,26).
What are the key properties of 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide?
2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide has a molecular weight of 400.44 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 30836253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).