3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one

C29H31N3O2 — CID 58619028

IUPAC3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one
SMILESC[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc4ccccc4c3)n(C)c2=O)CC1
InChIInChI=1S/C29H31N3O2/c1-20(33)19-32-15-11-23(12-16-32)27-18-26(22-9-13-30-14-10-22)28(31(2)29(27)34)25-8-7-21-5-3-4-6-24(21)17-25/h3-10,13-14,17-18,20,23,33H,11-12,15-16,19H2,1-2H3/t20-/m1/s1
InChIKeyDVFPOVFUQNUHJJ-HXUWFJFHSA-N
MW453.59 g/mol
LogP4.83
Rot. Bonds5

About 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one

3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one (PubChem CID 58619028) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one
PubChem CID58619028
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one
SMILESC[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc4ccccc4c3)n(C)c2=O)CC1
InChIInChI=1S/C29H31N3O2/c1-20(33)19-32-15-11-23(12-16-32)27-18-26(22-9-13-30-14-10-22)28(31(2)29(27)34)25-8-7-21-5-3-4-6-24(21)17-25/h3-10,13-14,17-18,20,23,33H,11-12,15-16,19H2,1-2H3/t20-/m1/s1
InChIKeyDVFPOVFUQNUHJJ-HXUWFJFHSA-N
XLogP4.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one (CID 58619028) is 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one is C[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc4ccccc4c3)n(C)c2=O)CC1.
What is the InChIKey of 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one?
The InChIKey is DVFPOVFUQNUHJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-20(33)19-32-15-11-23(12-16-32)27-18-26(22-9-13-30-14-10-22)28(31(2)29(27)34)25-8-7-21-5-3-4-6-24(21)17-25/h3-10,13-14,17-18,20,23,33H,11-12,15-16,19H2,1-2H3/t20-/m1/s1.
What are the key properties of 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one?
3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one has a molecular weight of 453.59 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]-1-methyl-6-naphthalen-2-yl-5-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 58619028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).