1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide

C16H19N5O4 — CID 36525528

IUPAC1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
SMILESCn1c(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)cnc2n(C)c1=O
InChIInChI=1S/C16H19N5O4/c1-19-13-11(15(24)20(2)16(19)25)7-10(8-18-13)14(23)21-5-3-9(4-6-21)12(17)22/h7-9H,3-6H2,1-2H3,(H2,17,22)
InChIKeyJRLNSTUYNADDOL-UHFFFAOYSA-N
MW345.36 g/mol
LogP-1.03
Rot. Bonds2

About 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide (PubChem CID 36525528) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
PubChem CID36525528
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide
SMILESCn1c(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)cnc2n(C)c1=O
InChIInChI=1S/C16H19N5O4/c1-19-13-11(15(24)20(2)16(19)25)7-10(8-18-13)14(23)21-5-3-9(4-6-21)12(17)22/h7-9H,3-6H2,1-2H3,(H2,17,22)
InChIKeyJRLNSTUYNADDOL-UHFFFAOYSA-N
XLogP-1.03
TPSA120.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119644795
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355794
6-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 30778324
methyl 2-(4-chlorophenyl)-2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]acetate
CID 43063801
1,3-dimethyl-6-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 30596881
1-(3-cyclopentylimidazo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 175644781
N-(1-amino-2-cyclopropylpropan-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119572796
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 119609675
N-[2-(cycloheptylamino)ethyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119619498
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 35252385
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119609674

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide (CID 36525528) is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide is Cn1c(=O)c2cc(C(=O)N3CCC(C(N)=O)CC3)cnc2n(C)c1=O.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
The InChIKey is JRLNSTUYNADDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-19-13-11(15(24)20(2)16(19)25)7-10(8-18-13)14(23)21-5-3-9(4-6-21)12(17)22/h7-9H,3-6H2,1-2H3,(H2,17,22).
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide?
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 36525528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).