2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C21H25N3O3 — CID 134705560

IUPAC2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H25N3O3/c25-21(18-3-1-2-4-20(18)24-9-11-26-12-10-24)23-19-15-27-14-17(19)13-16-5-7-22-8-6-16/h1-8,17,19H,9-15H2,(H,23,25)/t17-,19+/m1/s1
InChIKeyXXYWBBDLQRJXJX-MJGOQNOKSA-N
MW367.45 g/mol
LogP1.91
Rot. Bonds5

About 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134705560) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134705560
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1N1CCOCC1
InChIInChI=1S/C21H25N3O3/c25-21(18-3-1-2-4-20(18)24-9-11-26-12-10-24)23-19-15-27-14-17(19)13-16-5-7-22-8-6-16/h1-8,17,19H,9-15H2,(H,23,25)/t17-,19+/m1/s1
InChIKeyXXYWBBDLQRJXJX-MJGOQNOKSA-N
XLogP1.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 135092758
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696817
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135105880
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134713666
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134705560) is 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is XXYWBBDLQRJXJX-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(18-3-1-2-4-20(18)24-9-11-26-12-10-24)23-19-15-27-14-17(19)13-16-5-7-22-8-6-16/h1-8,17,19H,9-15H2,(H,23,25)/t17-,19+/m1/s1.
What are the key properties of 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134705560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).