6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide

C20H25BrN4O2 — CID 133385131

IUPAC6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1
InChIInChI=1S/C20H25BrN4O2/c1-2-7-22-20(26)16-4-6-19(24-14-16)23-13-15-3-5-17(21)12-18(15)25-8-10-27-11-9-25/h3-6,12,14H,2,7-11,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyRSAXIHVKCYIRMC-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.43
Rot. Bonds7

About 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide

6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide (PubChem CID 133385131) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide
PubChem CID133385131
Molecular FormulaC20H25BrN4O2
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1
InChIInChI=1S/C20H25BrN4O2/c1-2-7-22-20(26)16-4-6-19(24-14-16)23-13-15-3-5-17(21)12-18(15)25-8-10-27-11-9-25/h3-6,12,14H,2,7-11,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyRSAXIHVKCYIRMC-UHFFFAOYSA-N
XLogP3.43
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide 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

6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 133385160
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153848
N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133385182
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154098
6-[(4-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154112
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133302604
6-(2,6-diethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154157
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
CID 91791359
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide (CID 133385131) is 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1.
What is the InChIKey of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is RSAXIHVKCYIRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2/c1-2-7-22-20(26)16-4-6-19(24-14-16)23-13-15-3-5-17(21)12-18(15)25-8-10-27-11-9-25/h3-6,12,14H,2,7-11,13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide?
6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133385131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).