5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine

C20H23N5O — CID 72838623

IUPAC5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cc(C)c2c(N3CCCC(OCc4cccnc4)C3)ncnc2n1
InChIInChI=1S/C20H23N5O/c1-14-9-15(2)24-19-18(14)20(23-13-22-19)25-8-4-6-17(11-25)26-12-16-5-3-7-21-10-16/h3,5,7,9-10,13,17H,4,6,8,11-12H2,1-2H3
InChIKeyBXGIHJBQQHGBEF-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.22
Rot. Bonds4

About 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine

5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 72838623) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID72838623
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cc(C)c2c(N3CCCC(OCc4cccnc4)C3)ncnc2n1
InChIInChI=1S/C20H23N5O/c1-14-9-15(2)24-19-18(14)20(23-13-22-19)25-8-4-6-17(11-25)26-12-16-5-3-7-21-10-16/h3,5,7,9-10,13,17H,4,6,8,11-12H2,1-2H3
InChIKeyBXGIHJBQQHGBEF-UHFFFAOYSA-N
XLogP3.22
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine (CID 72838623) is 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine is Cc1cc(C)c2c(N3CCCC(OCc4cccnc4)C3)ncnc2n1.
What is the InChIKey of 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is BXGIHJBQQHGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-9-15(2)24-19-18(14)20(23-13-22-19)25-8-4-6-17(11-25)26-12-16-5-3-7-21-10-16/h3,5,7,9-10,13,17H,4,6,8,11-12H2,1-2H3.
What are the key properties of 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine?
5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 72838623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).