5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide

C23H25N3O2 — CID 109190273

IUPAC5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C23H25N3O2/c1-28-22-12-6-5-11-19(22)16-25-20-13-14-21(26-17-20)23(27)24-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,17,25H,7,10,15-16H2,1H3,(H,24,27)
InChIKeyPGDKQBJHYJCDLG-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.06
Rot. Bonds9

About 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide

5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109190273) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109190273
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)NCCCc2ccccc2)nc1
InChIInChI=1S/C23H25N3O2/c1-28-22-12-6-5-11-19(22)16-25-20-13-14-21(26-17-20)23(27)24-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,17,25H,7,10,15-16H2,1H3,(H,24,27)
InChIKeyPGDKQBJHYJCDLG-UHFFFAOYSA-N
XLogP4.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.06
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

N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109190273) is 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide is COc1ccccc1CNc1ccc(C(=O)NCCCc2ccccc2)nc1.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is PGDKQBJHYJCDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-22-12-6-5-11-19(22)16-25-20-13-14-21(26-17-20)23(27)24-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,17,25H,7,10,15-16H2,1H3,(H,24,27).
What are the key properties of 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide?
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).