2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C25H29N5O5 — CID 25287373

IUPAC2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(C(=O)N3CCCCC3)cc(C)nc2n(C)c1=O
InChIInChI=1S/C25H29N5O5/c1-15-8-9-19(35-4)18(12-15)27-20(31)14-30-24(33)21-17(23(32)29-10-6-5-7-11-29)13-16(2)26-22(21)28(3)25(30)34/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,27,31)
InChIKeyVZGFEVQPSLIYRX-UHFFFAOYSA-N
MW479.54 g/mol
LogP1.99
Rot. Bonds5

About 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 25287373) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID25287373
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(C(=O)N3CCCCC3)cc(C)nc2n(C)c1=O
InChIInChI=1S/C25H29N5O5/c1-15-8-9-19(35-4)18(12-15)27-20(31)14-30-24(33)21-17(23(32)29-10-6-5-7-11-29)13-16(2)26-22(21)28(3)25(30)34/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,27,31)
InChIKeyVZGFEVQPSLIYRX-UHFFFAOYSA-N
XLogP1.99
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 25238788
N-(2,5-dimethylphenyl)-2-(5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841363
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
methyl 7-cyclopropyl-3-[2-(2-methoxyanilino)-2-oxoethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238738
2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 50833615
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 53201660
N-(2-methylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 25238568
N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188
N-benzyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(pyrrolidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096954
ethyl 3-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 25238552
N-cyclopentyl-2-[7-methyl-2,4-dioxo-1-phenyl-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 53096937
N-(2-methoxy-5-methylphenyl)-1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-6-sulfonamide
CID 50830049

Frequently Asked Questions

What is the IUPAC name of 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 25287373) is 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)Cn1c(=O)c2c(C(=O)N3CCCCC3)cc(C)nc2n(C)c1=O.
What is the InChIKey of 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is VZGFEVQPSLIYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-15-8-9-19(35-4)18(12-15)27-20(31)14-30-24(33)21-17(23(32)29-10-6-5-7-11-29)13-16(2)26-22(21)28(3)25(30)34/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,27,31).
What are the key properties of 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 479.54 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,7-dimethyl-2,4-dioxo-5-(piperidine-1-carbonyl)pyrido[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 25287373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).