6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C20H23N5O3 — CID 59258984

IUPAC6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CC3CCOC3)c2n1
InChIInChI=1S/C20H23N5O3/c1-12-15-8-16(14-4-5-17(27-3)22-9-14)19(26)25(10-13-6-7-28-11-13)18(15)24-20(21-2)23-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,21,23,24)
InChIKeyTVRCVLINZTZXLC-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.25
Rot. Bonds5

About 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258984) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258984
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CC3CCOC3)c2n1
InChIInChI=1S/C20H23N5O3/c1-12-15-8-16(14-4-5-17(27-3)22-9-14)19(26)25(10-13-6-7-28-11-13)18(15)24-20(21-2)23-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,21,23,24)
InChIKeyTVRCVLINZTZXLC-UHFFFAOYSA-N
XLogP2.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258984) is 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CC3CCOC3)c2n1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TVRCVLINZTZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-15-8-16(14-4-5-17(27-3)22-9-14)19(26)25(10-13-6-7-28-11-13)18(15)24-20(21-2)23-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,21,23,24).
What are the key properties of 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 381.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).