N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

C23H28N2O3 — CID 124951201

IUPACN-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1
InChIInChI=1S/C23H28N2O3/c26-22(25-17-21-2-1-13-28-21)23(9-14-27-15-10-23)16-18-3-5-19(6-4-18)20-7-11-24-12-8-20/h3-8,11-12,21H,1-2,9-10,13-17H2,(H,25,26)/t21-/m0/s1
InChIKeyDGJPXZDMYUDWCN-NRFANRHFSA-N
MW380.49 g/mol
LogP3.38
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 124951201) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID124951201
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1
InChIInChI=1S/C23H28N2O3/c26-22(25-17-21-2-1-13-28-21)23(9-14-27-15-10-23)16-18-3-5-19(6-4-18)20-7-11-24-12-8-20/h3-8,11-12,21H,1-2,9-10,13-17H2,(H,25,26)/t21-/m0/s1
InChIKeyDGJPXZDMYUDWCN-NRFANRHFSA-N
XLogP3.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082846
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 125026020
N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082796
4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]oxane-4-carboxamide
CID 124991594
4-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]oxane-4-carboxamide
CID 124991593
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 110300179
methyl 1-[4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carbonyl]piperidine-4-carboxylate
CID 110082822
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124977494
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (CID 124951201) is N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is O=C(NC[C@@H]1CCCO1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is DGJPXZDMYUDWCN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(25-17-21-2-1-13-28-21)23(9-14-27-15-10-23)16-18-3-5-19(6-4-18)20-7-11-24-12-8-20/h3-8,11-12,21H,1-2,9-10,13-17H2,(H,25,26)/t21-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 124951201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).