N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide

C25H25N3O5 — CID 78150574

IUPACN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)c4cccnc4)cc3)C2CO)cc1
InChIInChI=1S/C25H25N3O5/c1-32-21-10-4-17(5-11-21)14-28-22(15-29)24(33-16-23(28)30)18-6-8-20(9-7-18)27-25(31)19-3-2-12-26-13-19/h2-13,22,24,29H,14-16H2,1H3,(H,27,31)
InChIKeySAOVUHIIZHLOQY-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.80
Rot. Bonds7

About N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide

N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 78150574) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID78150574
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2C(=O)COC(c3ccc(NC(=O)c4cccnc4)cc3)C2CO)cc1
InChIInChI=1S/C25H25N3O5/c1-32-21-10-4-17(5-11-21)14-28-22(15-29)24(33-16-23(28)30)18-6-8-20(9-7-18)27-25(31)19-3-2-12-26-13-19/h2-13,22,24,29H,14-16H2,1H3,(H,27,31)
InChIKeySAOVUHIIZHLOQY-UHFFFAOYSA-N
XLogP2.80
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]benzamide
CID 78150554
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 71693534
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-phenoxyacetamide
CID 78150565
1-tert-butyl-3-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 78150552
1-benzyl-3-[4-[(2R,3R)-3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]urea
CID 71693505
3,5-difluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]benzamide
CID 71693463
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 78150569
2-chloro-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 71693465
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]pyridine-2-carboxamide
CID 78150344
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
CID 78150457
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 78150574) is N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide is COc1ccc(CN2C(=O)COC(c3ccc(NC(=O)c4cccnc4)cc3)C2CO)cc1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is SAOVUHIIZHLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-32-21-10-4-17(5-11-21)14-28-22(15-29)24(33-16-23(28)30)18-6-8-20(9-7-18)27-25(31)19-3-2-12-26-13-19/h2-13,22,24,29H,14-16H2,1H3,(H,27,31).
What are the key properties of N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide?
N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 78150574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).