2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile

C20H19N5O2 — CID 139023189

IUPAC2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CCCN(c3cc(=O)n4ccccc4n3)C2)c1
InChIInChI=1S/C20H19N5O2/c21-12-15-6-7-22-19(10-15)27-14-16-4-3-8-24(13-16)18-11-20(26)25-9-2-1-5-17(25)23-18/h1-2,5-7,9-11,16H,3-4,8,13-14H2
InChIKeyPQDSWFRUEBHOOM-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.26
Rot. Bonds4

About 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile

2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile (PubChem CID 139023189) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
PubChem CID139023189
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2CCCN(c3cc(=O)n4ccccc4n3)C2)c1
InChIInChI=1S/C20H19N5O2/c21-12-15-6-7-22-19(10-15)27-14-16-4-3-8-24(13-16)18-11-20(26)25-9-2-1-5-17(25)23-18/h1-2,5-7,9-11,16H,3-4,8,13-14H2
InChIKeyPQDSWFRUEBHOOM-UHFFFAOYSA-N
XLogP2.26
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile (CID 139023189) is 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile is N#Cc1ccnc(OCC2CCCN(c3cc(=O)n4ccccc4n3)C2)c1.
What is the InChIKey of 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
The InChIKey is PQDSWFRUEBHOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-12-15-6-7-22-19(10-15)27-14-16-4-3-8-24(13-16)18-11-20(26)25-9-2-1-5-17(25)23-18/h1-2,5-7,9-11,16H,3-4,8,13-14H2.
What are the key properties of 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile?
2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-3-yl]methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 139023189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).