6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile

C16H17N5O — CID 142340824

IUPAC6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
SMILESCOc1cc(C)nc(N2CCc3nc(C#N)ncc3C2C)c1
InChIInChI=1S/C16H17N5O/c1-10-6-12(22-3)7-16(19-10)21-5-4-14-13(11(21)2)9-18-15(8-17)20-14/h6-7,9,11H,4-5H2,1-3H3
InChIKeyURSZLYVLYSDKKR-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.18
Rot. Bonds2

About 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile

6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile (PubChem CID 142340824) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
PubChem CID142340824
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile
SMILESCOc1cc(C)nc(N2CCc3nc(C#N)ncc3C2C)c1
InChIInChI=1S/C16H17N5O/c1-10-6-12(22-3)7-16(19-10)21-5-4-14-13(11(21)2)9-18-15(8-17)20-14/h6-7,9,11H,4-5H2,1-3H3
InChIKeyURSZLYVLYSDKKR-UHFFFAOYSA-N
XLogP2.18
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile (CID 142340824) is 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile is COc1cc(C)nc(N2CCc3nc(C#N)ncc3C2C)c1.
What is the InChIKey of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
The InChIKey is URSZLYVLYSDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-6-12(22-3)7-16(19-10)21-5-4-14-13(11(21)2)9-18-15(8-17)20-14/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile?
6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-6-methyl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 142340824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).