6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109160854

IUPAC6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C23H25N3O2/c1-17-10-12-21(28-2)20(15-17)26-22-13-11-19(16-25-22)23(27)24-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyNTDSDEQOWLLMLA-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.50
Rot. Bonds8

About 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 109160854) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID109160854
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C23H25N3O2/c1-17-10-12-21(28-2)20(15-17)26-22-13-11-19(16-25-22)23(27)24-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyNTDSDEQOWLLMLA-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.50
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-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
6-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109159231
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
6-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156064
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
6-(5-chloro-2-methoxyanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158583
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 109160854) is 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is COc1ccc(C)cc1Nc1ccc(C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is NTDSDEQOWLLMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-10-12-21(28-2)20(15-17)26-22-13-11-19(16-25-22)23(27)24-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109160854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).