2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide

C24H23N3O4 — CID 154460553

IUPAC2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1cccc(-c2ccc(C=O)cc2CN2CCOCC2)c1
InChIInChI=1S/C24H23N3O4/c25-23(29)22-5-2-8-26-24(22)31-20-4-1-3-18(14-20)21-7-6-17(16-28)13-19(21)15-27-9-11-30-12-10-27/h1-8,13-14,16H,9-12,15H2,(H2,25,29)
InChIKeyHSLXRFBBMRYGKC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.28
Rot. Bonds7

About 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide

2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 154460553) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
PubChem CID154460553
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1cccc(-c2ccc(C=O)cc2CN2CCOCC2)c1
InChIInChI=1S/C24H23N3O4/c25-23(29)22-5-2-8-26-24(22)31-20-4-1-3-18(14-20)21-7-6-17(16-28)13-19(21)15-27-9-11-30-12-10-27/h1-8,13-14,16H,9-12,15H2,(H2,25,29)
InChIKeyHSLXRFBBMRYGKC-UHFFFAOYSA-N
XLogP3.28
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]phenyl]phenoxy]pyridine-3-carboxamide
CID 142706361
ethyl 2-(3-formylphenoxy)pyridine-3-carboxylate
CID 54074518
5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 90643910
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131942057
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
CID 59190465
2-(2,3-dihydro-1-benzofuran-5-yloxy)pyridine-3-carboxamide
CID 141060321
[4-[[5-fluoro-2-[3-[2-(morpholin-4-ylmethyl)-4-(thiomorpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 68546013
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-2-(thiomorpholin-4-ylmethyl)phenyl]phenoxy]-5-fluoropyridine-3-carboxamide;hydrochloride
CID 142730683
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 47051100
3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 118695162
4-ethyl-N-[4-[[5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-5-methyl-3,4-dihydro-2H-azepine-7-carboxamide
CID 163470026
2-[3-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486329

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (CID 154460553) is 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1cccc(-c2ccc(C=O)cc2CN2CCOCC2)c1.
What is the InChIKey of 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is HSLXRFBBMRYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c25-23(29)22-5-2-8-26-24(22)31-20-4-1-3-18(14-20)21-7-6-17(16-28)13-19(21)15-27-9-11-30-12-10-27/h1-8,13-14,16H,9-12,15H2,(H2,25,29).
What are the key properties of 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-formyl-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 154460553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).