N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

C24H31N3O3 — CID 110088142

IUPACN-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1
InChIInChI=1S/C24H31N3O3/c28-23(26-10-11-27-12-16-30-17-13-27)24(6-14-29-15-7-24)19-20-2-1-3-22(18-20)21-4-8-25-9-5-21/h1-5,8-9,18H,6-7,10-17,19H2,(H,26,28)
InChIKeyCNOQEAQHXKGMCE-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.54
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 110088142) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID110088142
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1
InChIInChI=1S/C24H31N3O3/c28-23(26-10-11-27-12-16-30-17-13-27)24(6-14-29-15-7-24)19-20-2-1-3-22(18-20)21-4-8-25-9-5-21/h1-5,8-9,18H,6-7,10-17,19H2,(H,26,28)
InChIKeyCNOQEAQHXKGMCE-UHFFFAOYSA-N
XLogP2.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458157
N-(2-hydroxypropyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110083079
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110075872
N-[(2-fluorophenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129458844
4-[[3-(4-methoxyphenyl)phenyl]methyl]-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 110075870
N-(2-phenylethyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 129455017
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 155982740
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
N-prop-2-enyl-1-(pyridin-4-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083896
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-[[3-(3-fluorophenyl)phenyl]methyl]oxane-4-carboxamide
CID 129455362
N-(2-acetamidoethyl)-4-[[3-(3,5-dimethylphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129455278
4-[[3-(3,4-difluorophenyl)phenyl]methyl]-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 110082374

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide (CID 110088142) is N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is O=C(NCCN1CCOCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is CNOQEAQHXKGMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(26-10-11-27-12-16-30-17-13-27)24(6-14-29-15-7-24)19-20-2-1-3-22(18-20)21-4-8-25-9-5-21/h1-5,8-9,18H,6-7,10-17,19H2,(H,26,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide?
N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[(3-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 110088142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).