2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one

C24H28N4O4 — CID 136881730

IUPAC2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCCCC2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O4/c1-30-20-11-16(12-21(31-2)23(20)32-3)15-28-10-5-4-8-19(28)18-13-22(29)27-24(26-18)17-7-6-9-25-14-17/h6-7,9,11-14,19H,4-5,8,10,15H2,1-3H3,(H,26,27,29)
InChIKeyHTFCQVKFCOMAEN-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.58
Rot. Bonds7

About 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one

2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136881730) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136881730
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCCCC2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O4/c1-30-20-11-16(12-21(31-2)23(20)32-3)15-28-10-5-4-8-19(28)18-13-22(29)27-24(26-18)17-7-6-9-25-14-17/h6-7,9,11-14,19H,4-5,8,10,15H2,1-3H3,(H,26,27,29)
InChIKeyHTFCQVKFCOMAEN-UHFFFAOYSA-N
XLogP3.58
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one (CID 136881730) is 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one is COc1cc(CN2CCCCC2c2cc(=O)[nH]c(-c3cccnc3)n2)cc(OC)c1OC.
What is the InChIKey of 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is HTFCQVKFCOMAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-20-11-16(12-21(31-2)23(20)32-3)15-28-10-5-4-8-19(28)18-13-22(29)27-24(26-18)17-7-6-9-25-14-17/h6-7,9,11-14,19H,4-5,8,10,15H2,1-3H3,(H,26,27,29).
What are the key properties of 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one?
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 436.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136881730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).