N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide

C22H23N3O2 — CID 109160801

IUPACN-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(NCCCc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-11-5-10-19(15-20)25-22(26)18-12-13-21(24-16-18)23-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyJMOJGPZDRFLYRJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.39
Rot. Bonds8

About N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide

N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109160801) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109160801
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(NCCCc3ccccc3)nc2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-11-5-10-19(15-20)25-22(26)18-12-13-21(24-16-18)23-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,23,24)(H,25,26)
InChIKeyJMOJGPZDRFLYRJ-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.39
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-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160796
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157277
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-(2,5-dimethoxyphenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158252
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109160801) is N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(NCCCc3ccccc3)nc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is JMOJGPZDRFLYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-11-5-10-19(15-20)25-22(26)18-12-13-21(24-16-18)23-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide?
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109160801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).