N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C18H23N3O2 — CID 109153274

IUPACN-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(NCc2ccccc2C)nc1
InChIInChI=1S/C18H23N3O2/c1-14-6-3-4-7-15(14)12-20-17-9-8-16(13-21-17)18(22)19-10-5-11-23-2/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXWOFXCGVQKXKQX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.77
Rot. Bonds8

About N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109153274) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109153274
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(NCc2ccccc2C)nc1
InChIInChI=1S/C18H23N3O2/c1-14-6-3-4-7-15(14)12-20-17-9-8-16(13-21-17)18(22)19-10-5-11-23-2/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyXWOFXCGVQKXKQX-UHFFFAOYSA-N
XLogP2.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-(3-methoxypropyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109184207
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155703
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109153274) is N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is COCCCNC(=O)c1ccc(NCc2ccccc2C)nc1.
What is the InChIKey of N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is XWOFXCGVQKXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-6-3-4-7-15(14)12-20-17-9-8-16(13-21-17)18(22)19-10-5-11-23-2/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109153274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).