6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide

C17H21N3O2 — CID 109151240

IUPAC6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2ccccc2OC)nc1
InChIInChI=1S/C17H21N3O2/c1-3-10-18-17(21)14-8-9-16(20-12-14)19-11-13-6-4-5-7-15(13)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQBZDKVXQNWFOBX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.84
Rot. Bonds7

About 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide

6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide (PubChem CID 109151240) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
PubChem CID109151240
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2ccccc2OC)nc1
InChIInChI=1S/C17H21N3O2/c1-3-10-18-17(21)14-8-9-16(20-12-14)19-11-13-6-4-5-7-15(13)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQBZDKVXQNWFOBX-UHFFFAOYSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
N-[4-(dimethylamino)phenyl]-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157116
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide (CID 109151240) is 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NCc2ccccc2OC)nc1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is QBZDKVXQNWFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-10-18-17(21)14-8-9-16(20-12-14)19-11-13-6-4-5-7-15(13)22-2/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide?
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109151240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).