N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide

C20H25N3O3 — CID 112536155

IUPACN-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCC(O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3/c24-19(15-22-20(25)9-6-17-3-1-2-10-21-17)16-4-7-18(8-5-16)23-11-13-26-14-12-23/h1-5,7-8,10,19,24H,6,9,11-15H2,(H,22,25)
InChIKeyBKBPWABYDAQEKV-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.70
Rot. Bonds7

About N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide

N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 112536155) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID112536155
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCC(O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H25N3O3/c24-19(15-22-20(25)9-6-17-3-1-2-10-21-17)16-4-7-18(8-5-16)23-11-13-26-14-12-23/h1-5,7-8,10,19,24H,6,9,11-15H2,(H,22,25)
InChIKeyBKBPWABYDAQEKV-UHFFFAOYSA-N
XLogP1.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylpropanamide
CID 75424213
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 112536125
N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3-pyridin-2-ylpropanamide
CID 96517114
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide (CID 112536155) is N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)NCC(O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is BKBPWABYDAQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19(15-22-20(25)9-6-17-3-1-2-10-21-17)16-4-7-18(8-5-16)23-11-13-26-14-12-23/h1-5,7-8,10,19,24H,6,9,11-15H2,(H,22,25).
What are the key properties of N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide?
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 112536155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).