3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide

C26H30N6O3 — CID 155541583

IUPAC3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide
SMILESCOc1ncc(N2CCc3ncnc(Nc4cccc(C(=O)NC5CCOCC5)c4)c3C2)cc1C
InChIInChI=1S/C26H30N6O3/c1-17-12-21(14-27-26(17)34-2)32-9-6-23-22(15-32)24(29-16-28-23)30-20-5-3-4-18(13-20)25(33)31-19-7-10-35-11-8-19/h3-5,12-14,16,19H,6-11,15H2,1-2H3,(H,31,33)(H,28,29,30)
InChIKeyXRSJOEAILRNBRZ-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.40
Rot. Bonds6

About 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide

3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide (PubChem CID 155541583) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide
PubChem CID155541583
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide
SMILESCOc1ncc(N2CCc3ncnc(Nc4cccc(C(=O)NC5CCOCC5)c4)c3C2)cc1C
InChIInChI=1S/C26H30N6O3/c1-17-12-21(14-27-26(17)34-2)32-9-6-23-22(15-32)24(29-16-28-23)30-20-5-3-4-18(13-20)25(33)31-19-7-10-35-11-8-19/h3-5,12-14,16,19H,6-11,15H2,1-2H3,(H,31,33)(H,28,29,30)
InChIKeyXRSJOEAILRNBRZ-UHFFFAOYSA-N
XLogP3.40
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide (CID 155541583) is 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide is COc1ncc(N2CCc3ncnc(Nc4cccc(C(=O)NC5CCOCC5)c4)c3C2)cc1C.
What is the InChIKey of 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide?
The InChIKey is XRSJOEAILRNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-17-12-21(14-27-26(17)34-2)32-9-6-23-22(15-32)24(29-16-28-23)30-20-5-3-4-18(13-20)25(33)31-19-7-10-35-11-8-19/h3-5,12-14,16,19H,6-11,15H2,1-2H3,(H,31,33)(H,28,29,30).
What are the key properties of 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide?
3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide has a molecular weight of 474.57 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 155541583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).