3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide

C24H23N5O7S — CID 46212325

IUPAC3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)NC(C)c4ccc(S(C)(=O)=O)cc4)ncc3c2=O)nc1OC
InChIInChI=1S/C24H23N5O7S/c1-13(14-5-7-15(8-6-14)37(4,33)34)26-21(30)18-11-17-16(12-25-18)23(31)29(24(32)27-17)20-10-9-19(35-2)22(28-20)36-3/h5-13H,1-4H3,(H,26,30)(H,27,32)
InChIKeyAZOYZIFOOXNZJS-UHFFFAOYSA-N
MW525.54 g/mol
LogP1.38
Rot. Bonds7

About 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide

3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide (PubChem CID 46212325) has the molecular formula C24H23N5O7S and a molecular weight of 525.54 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide
PubChem CID46212325
Molecular FormulaC24H23N5O7S
Molecular Weight525.54 g/mol
Exact Mass525.13
IUPAC Name3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)NC(C)c4ccc(S(C)(=O)=O)cc4)ncc3c2=O)nc1OC
InChIInChI=1S/C24H23N5O7S/c1-13(14-5-7-15(8-6-14)37(4,33)34)26-21(30)18-11-17-16(12-25-18)23(31)29(24(32)27-17)20-10-9-19(35-2)22(28-20)36-3/h5-13H,1-4H3,(H,26,30)(H,27,32)
InChIKeyAZOYZIFOOXNZJS-UHFFFAOYSA-N
XLogP1.38
TPSA162.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
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7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 125447012
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CID 26958270
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
6-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-indole-2-carboxamide
CID 55555964
(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide (CID 46212325) is 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide is COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NC(C)c4ccc(S(C)(=O)=O)cc4)ncc3c2=O)nc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide?
The InChIKey is AZOYZIFOOXNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O7S/c1-13(14-5-7-15(8-6-14)37(4,33)34)26-21(30)18-11-17-16(12-25-18)23(31)29(24(32)27-17)20-10-9-19(35-2)22(28-20)36-3/h5-13H,1-4H3,(H,26,30)(H,27,32).
What are the key properties of 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide?
3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide has a molecular weight of 525.54 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-2-pyridinyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-2,4-dioxo-1H-pyrido[4,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 46212325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).