N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide

C23H28N2O3 — CID 110082846

IUPACN-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1
InChIInChI=1S/C23H28N2O3/c26-22(25-17-21-4-2-12-28-21)23(9-13-27-14-10-23)15-18-5-7-19(8-6-18)20-3-1-11-24-16-20/h1,3,5-8,11,16,21H,2,4,9-10,12-15,17H2,(H,25,26)
InChIKeyHGYANBREOMWYML-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.38
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide

N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 110082846) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID110082846
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1
InChIInChI=1S/C23H28N2O3/c26-22(25-17-21-4-2-12-28-21)23(9-13-27-14-10-23)15-18-5-7-19(8-6-18)20-3-1-11-24-16-20/h1,3,5-8,11,16,21H,2,4,9-10,12-15,17H2,(H,25,26)
InChIKeyHGYANBREOMWYML-UHFFFAOYSA-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-[[(2S)-oxolan-2-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 124951201
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-(2-hydroxyethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082855
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 125011131
N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082879
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124977494
N-(1-hydroxypropan-2-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082863
1-[(3-fluoro-4-pyridin-3-ylphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 167946087
N-(2-phenylethyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 129455017
N-(2-hydroxypropyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110083112
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide (CID 110082846) is N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide is O=C(NCC1CCCO1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is HGYANBREOMWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(25-17-21-4-2-12-28-21)23(9-13-27-14-10-23)15-18-5-7-19(8-6-18)20-3-1-11-24-16-20/h1,3,5-8,11,16,21H,2,4,9-10,12-15,17H2,(H,25,26).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-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-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 110082846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).