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

C16H19N5O — CID 156527421

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

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

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Related Compounds

CID 156114287
CID 156114287
CID 156114288
CID 156114288
CID 156114290
CID 156114290
CID 156114294
CID 156114294
CID 156114307
CID 156114307
CID 156114308
CID 156114308
CID 156114309
CID 156114309
CID 156114313
CID 156114313
CID 156114325
CID 156114325
CID 156114329
CID 156114329
CID 156114332
CID 156114332
CID 156114339
CID 156114339

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).