1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide

C23H18N4O4 — CID 56547323

IUPAC1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)nc2n(C)c1=O
InChIInChI=1S/C23H18N4O4/c1-26-20-15(22(29)27(2)23(26)30)11-12-16(24-20)21(28)25-19-13-7-3-5-9-17(13)31-18-10-6-4-8-14(18)19/h3-12,19H,1-2H3,(H,25,28)
InChIKeyMXHFSWLRXHGZLC-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.26
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide

1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 56547323) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID56547323
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)nc2n(C)c1=O
InChIInChI=1S/C23H18N4O4/c1-26-20-15(22(29)27(2)23(26)30)11-12-16(24-20)21(28)25-19-13-7-3-5-9-17(13)31-18-10-6-4-8-14(18)19/h3-12,19H,1-2H3,(H,25,28)
InChIKeyMXHFSWLRXHGZLC-UHFFFAOYSA-N
XLogP2.26
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
1,3-dimethyl-2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 47048571
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
1,3-dimethyl-2,4-dioxo-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)pyrido[2,3-d]pyrimidine-7-carbohydrazide
CID 55568713
N-(1-adamantyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 46597508
1,3-dimethyl-2,4-dioxo-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39630963
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39300001
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
1,3-dimethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55583560
N-[1-(1-benzofuran-2-yl)ethyl]-N,1,3-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 134054336

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 56547323) is 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)NC3c4ccccc4Oc4ccccc43)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is MXHFSWLRXHGZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-26-20-15(22(29)27(2)23(26)30)11-12-16(24-20)21(28)25-19-13-7-3-5-9-17(13)31-18-10-6-4-8-14(18)19/h3-12,19H,1-2H3,(H,25,28).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(9H-xanthen-9-yl)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 56547323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).