1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C22H27N5O3 — CID 92630868

IUPAC1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccncc4)C3)nc21
InChIInChI=1S/C22H27N5O3/c1-25-21(28)18-5-6-19(24-20(18)27(22(25)29)12-13-30-2)17-4-3-11-26(15-17)14-16-7-9-23-10-8-16/h5-10,17H,3-4,11-15H2,1-2H3/t17-/m1/s1
InChIKeyBUDJYSOQMATDCB-QGZVFWFLSA-N
MW409.49 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 92630868) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92630868
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccncc4)C3)nc21
InChIInChI=1S/C22H27N5O3/c1-25-21(28)18-5-6-19(24-20(18)27(22(25)29)12-13-30-2)17-4-3-11-26(15-17)14-16-7-9-23-10-8-16/h5-10,17H,3-4,11-15H2,1-2H3/t17-/m1/s1
InChIKeyBUDJYSOQMATDCB-QGZVFWFLSA-N
XLogP1.52
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-methoxyethyl)-3-methyl-7-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110267048
1-benzyl-3-methyl-7-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630867
1,3-dimethyl-7-[1-(2-phenylethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264730
1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071
1-(2-methoxyethyl)-3-methyl-7-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630844
1-benzyl-3-methyl-7-[(3S)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 125002688
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 127252083
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-(methoxymethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136869640
(3aR,7aR)-5-(2-methoxyethyl)-2-(pyridin-4-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97377635
N-(2-methoxyethyl)-3-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92611232

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 92630868) is 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccncc4)C3)nc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BUDJYSOQMATDCB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-25-21(28)18-5-6-19(24-20(18)27(22(25)29)12-13-30-2)17-4-3-11-26(15-17)14-16-7-9-23-10-8-16/h5-10,17H,3-4,11-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 409.49 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92630868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).