N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide

C21H23N3O3 — CID 139417982

IUPACN-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide
SMILESO=CNc1ccc(C#Cc2ccc(OCCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C21H23N3O3/c25-17-23-21-9-6-19(16-22-21)3-2-18-4-7-20(8-5-18)27-13-1-10-24-11-14-26-15-12-24/h4-9,16-17H,1,10-15H2,(H,22,23,25)
InChIKeyBTOICEIEXJBIFQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.15
Rot. Bonds7

About N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide

N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide (PubChem CID 139417982) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide
PubChem CID139417982
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide
SMILESO=CNc1ccc(C#Cc2ccc(OCCCN3CCOCC3)cc2)cn1
InChIInChI=1S/C21H23N3O3/c25-17-23-21-9-6-19(16-22-21)3-2-18-4-7-20(8-5-18)27-13-1-10-24-11-14-26-15-12-24/h4-9,16-17H,1,10-15H2,(H,22,23,25)
InChIKeyBTOICEIEXJBIFQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide
CID 139417969
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
N-[5-(2-bromoacetyl)-2-pyridinyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 131738515
5-[2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]ethynyl]-N-methylpyridin-2-amine
CID 139418021
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317278

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide?
The IUPAC name of N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide (CID 139417982) is N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide.
What is the SMILES notation for N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide?
The canonical SMILES for N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide is O=CNc1ccc(C#Cc2ccc(OCCCN3CCOCC3)cc2)cn1.
What is the InChIKey of N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide?
The InChIKey is BTOICEIEXJBIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-17-23-21-9-6-19(16-22-21)3-2-18-4-7-20(8-5-18)27-13-1-10-24-11-14-26-15-12-24/h4-9,16-17H,1,10-15H2,(H,22,23,25).
What are the key properties of N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide?
N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide has a molecular weight of 365.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide is sourced from PubChem (CID 139417982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).