cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

C20H31N5O — CID 110262142

IUPACcyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1nc(C2CCCN(C(=O)C3CCCCC3)C2)nc2c1CNCC2
InChIInChI=1S/C20H31N5O/c1-21-19-16-12-22-10-9-17(16)23-18(24-19)15-8-5-11-25(13-15)20(26)14-6-3-2-4-7-14/h14-15,22H,2-13H2,1H3,(H,21,23,24)
InChIKeyZNQOLIOWPMWFCZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.45
Rot. Bonds3

About cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 110262142) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID110262142
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Namecyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1nc(C2CCCN(C(=O)C3CCCCC3)C2)nc2c1CNCC2
InChIInChI=1S/C20H31N5O/c1-21-19-16-12-22-10-9-17(16)23-18(24-19)15-8-5-11-25(13-15)20(26)14-6-3-2-4-7-14/h14-15,22H,2-13H2,1H3,(H,21,23,24)
InChIKeyZNQOLIOWPMWFCZ-UHFFFAOYSA-N
XLogP2.45
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 110262142) is cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is CNc1nc(C2CCCN(C(=O)C3CCCCC3)C2)nc2c1CNCC2.
What is the InChIKey of cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is ZNQOLIOWPMWFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-21-19-16-12-22-10-9-17(16)23-18(24-19)15-8-5-11-25(13-15)20(26)14-6-3-2-4-7-14/h14-15,22H,2-13H2,1H3,(H,21,23,24).
What are the key properties of cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110262142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).