N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide

C29H32N4O3 — CID 26345898

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
SMILESO=C(COc1ccc(-c2ncccn2)cc1CN1CC=C(c2ccccc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C29H32N4O3/c34-28(32-19-26-8-4-17-35-26)21-36-27-10-9-24(29-30-13-5-14-31-29)18-25(27)20-33-15-11-23(12-16-33)22-6-2-1-3-7-22/h1-3,5-7,9-11,13-14,18,26H,4,8,12,15-17,19-21H2,(H,32,34)/t26-/m1/s1
InChIKeyPCUFTZJRWQPXDN-AREMUKBSSA-N
MW484.60 g/mol
LogP4.11
Rot. Bonds9

About N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide (PubChem CID 26345898) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
PubChem CID26345898
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
SMILESO=C(COc1ccc(-c2ncccn2)cc1CN1CC=C(c2ccccc2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C29H32N4O3/c34-28(32-19-26-8-4-17-35-26)21-36-27-10-9-24(29-30-13-5-14-31-29)18-25(27)20-33-15-11-23(12-16-33)22-6-2-1-3-7-22/h1-3,5-7,9-11,13-14,18,26H,4,8,12,15-17,19-21H2,(H,32,34)/t26-/m1/s1
InChIKeyPCUFTZJRWQPXDN-AREMUKBSSA-N
XLogP4.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
CID 26345894
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
N-(oxolan-2-ylmethyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50954906
4-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 60698794
4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylamino]methyl]benzoic acid
CID 122030533
2-[4-[1-(3,4-dimethylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93056502
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]benzoic acid
CID 82810102
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 16812837
2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide (CID 26345898) is N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide is O=C(COc1ccc(-c2ncccn2)cc1CN1CC=C(c2ccccc2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
The InChIKey is PCUFTZJRWQPXDN-AREMUKBSSA-N. The full InChI is InChI=1S/C29H32N4O3/c34-28(32-19-26-8-4-17-35-26)21-36-27-10-9-24(29-30-13-5-14-31-29)18-25(27)20-33-15-11-23(12-16-33)22-6-2-1-3-7-22/h1-3,5-7,9-11,13-14,18,26H,4,8,12,15-17,19-21H2,(H,32,34)/t26-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide has a molecular weight of 484.60 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide is sourced from PubChem (CID 26345898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).