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4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile

C16H19N5O — CID 156527421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
SMILESC[C@H]1CC[C@@H](C)N(c2nc(=O)n(C)c3ccc(C#N)nc23)C1
InChIInChI=1S/C16H19N5O/c1-10-4-5-11(2)21(9-10)15-14-13(20(3)16(22)19-15)7-6-12(8-17)18-14/h6-7,10-11H,4-5,9H2,1-3H3/t10-,11+/m0/s1
InChIKeyBFAIYINZBNIYOA-WDEREUQCSA-N
MW297.36 g/mol
LogP1.82
Rot. Bonds1

About 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile

4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile (PubChem CID 156527421) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
PubChem CID156527421
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile
SMILESC[C@H]1CC[C@@H](C)N(c2nc(=O)n(C)c3ccc(C#N)nc23)C1
InChIInChI=1S/C16H19N5O/c1-10-4-5-11(2)21(9-10)15-14-13(20(3)16(22)19-15)7-6-12(8-17)18-14/h6-7,10-11H,4-5,9H2,1-3H3/t10-,11+/m0/s1
InChIKeyBFAIYINZBNIYOA-WDEREUQCSA-N
XLogP1.82
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The IUPAC name of 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile (CID 156527421) is 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile is C[C@H]1CC[C@@H](C)N(c2nc(=O)n(C)c3ccc(C#N)nc23)C1.
What is the InChIKey of 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
The InChIKey is BFAIYINZBNIYOA-WDEREUQCSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-4-5-11(2)21(9-10)15-14-13(20(3)16(22)19-15)7-6-12(8-17)18-14/h6-7,10-11H,4-5,9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile?
4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,5S)-2,5-dimethylpiperidin-1-yl]-1-methyl-2-oxopyrido[3,2-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 156527421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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