5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide

C17H21N3O2 — CID 109179073

IUPAC5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H21N3O2/c1-3-10-18-17(21)16-9-6-14(12-20-16)19-11-13-4-7-15(22-2)8-5-13/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyRKENQDDKABHDKZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.84
Rot. Bonds7

About 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide

5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide (PubChem CID 109179073) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
PubChem CID109179073
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C17H21N3O2/c1-3-10-18-17(21)16-9-6-14(12-20-16)19-11-13-4-7-15(22-2)8-5-13/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyRKENQDDKABHDKZ-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

N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-[(4-methoxyphenyl)methylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109190476
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109180664
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide (CID 109179073) is 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(NCc2ccc(OC)cc2)cn1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide?
The InChIKey is RKENQDDKABHDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-10-18-17(21)16-9-6-14(12-20-16)19-11-13-4-7-15(22-2)8-5-13/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,21).
What are the key properties of 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide?
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-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 5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).