6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

C22H23N3O2 — CID 109160850

IUPAC6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCCc3ccccc3)cn2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-11-5-10-19(15-20)25-21-13-12-18(16-24-21)22(26)23-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyHFSZKUYONRZTLF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.20
Rot. Bonds8

About 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide

6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 109160850) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID109160850
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCCc3ccccc3)cn2)c1
InChIInChI=1S/C22H23N3O2/c1-27-20-11-5-10-19(15-20)25-21-13-12-18(16-24-21)22(26)23-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyHFSZKUYONRZTLF-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-(2-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158959
6-(2-methoxy-5-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160854
2-N-(3-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089049
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 109160850) is 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)NCCCc3ccccc3)cn2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is HFSZKUYONRZTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-11-5-10-19(15-20)25-21-13-12-18(16-24-21)22(26)23-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide?
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109160850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).