1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione

C16H20N4O4 — CID 53006495

IUPAC1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(C(=O)N3CCCCC3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C16H20N4O4/c1-17-11(21)9-10(14(22)20-7-5-4-6-8-20)12-13(17)18(2)16(24)19(3)15(12)23/h9H,4-8H2,1-3H3
InChIKeyKTJQFLWIALMNCD-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.44
Rot. Bonds1

About 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 53006495) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID53006495
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(C(=O)N3CCCCC3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C16H20N4O4/c1-17-11(21)9-10(14(22)20-7-5-4-6-8-20)12-13(17)18(2)16(24)19(3)15(12)23/h9H,4-8H2,1-3H3
InChIKeyKTJQFLWIALMNCD-UHFFFAOYSA-N
XLogP-0.44
TPSA86.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 53027853
1,3-dimethyl-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrimidine-2,4-dione
CID 74243050
N-(2,4-dimethoxyphenyl)-1,3,8-trimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53027824
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
1,3-dimethyl-6-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 72889793
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
N-[2-(azepan-1-yl)ethyl]-1-methyl-2,4,7-trioxo-3,8-dipropylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 53027807
3,8-diethyl-1-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 22334993
4-(azepane-1-carbonyl)-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4991801
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
cyclohexyl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807056

Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 53006495) is 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(C(=O)N3CCCCC3)cc(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is KTJQFLWIALMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-17-11(21)9-10(14(22)20-7-5-4-6-8-20)12-13(17)18(2)16(24)19(3)15(12)23/h9H,4-8H2,1-3H3.
What are the key properties of 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 332.36 g/mol, XLogP of -0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 53006495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).