3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C23H26N4O4 — CID 42587630

IUPAC3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC[C@@H]1CCCCN1C(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C23H26N4O4/c1-3-16-9-6-7-14-25(16)20(28)15-26-22(29)17-10-8-13-24-21(17)27(23(26)30)18-11-4-5-12-19(18)31-2/h4-5,8,10-13,16H,3,6-7,9,14-15H2,1-2H3/t16-/m1/s1
InChIKeyZNZKTLDEQUMKAW-MRXNPFEDSA-N
MW422.49 g/mol
LogP2.35
Rot. Bonds5

About 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 42587630) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID42587630
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC[C@@H]1CCCCN1C(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2OC)c1=O
InChIInChI=1S/C23H26N4O4/c1-3-16-9-6-7-14-25(16)20(28)15-26-22(29)17-10-8-13-24-21(17)27(23(26)30)18-11-4-5-12-19(18)31-2/h4-5,8,10-13,16H,3,6-7,9,14-15H2,1-2H3/t16-/m1/s1
InChIKeyZNZKTLDEQUMKAW-MRXNPFEDSA-N
XLogP2.35
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyphenyl)-3-[(2-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 17250672
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CID 110236919
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CID 683288
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CID 7619297
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
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N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
CID 113173184
1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 51916299
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 42587630) is 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC[C@@H]1CCCCN1C(=O)Cn1c(=O)c2cccnc2n(-c2ccccc2OC)c1=O.
What is the InChIKey of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZNZKTLDEQUMKAW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-16-9-6-7-14-25(16)20(28)15-26-22(29)17-10-8-13-24-21(17)27(23(26)30)18-11-4-5-12-19(18)31-2/h4-5,8,10-13,16H,3,6-7,9,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 422.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 42587630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).