6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

C22H23N3O2 — CID 109153077

IUPAC6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C22H23N3O2/c1-27-15-14-23-22(26)19-12-13-21(24-16-19)25(20-10-6-3-7-11-20)17-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,23,26)
InChIKeySJFZFWFWFWLESR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.80
Rot. Bonds8

About 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide

6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 109153077) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID109153077
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N(Cc2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C22H23N3O2/c1-27-15-14-23-22(26)19-12-13-21(24-16-19)25(20-10-6-3-7-11-20)17-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,23,26)
InChIKeySJFZFWFWFWLESR-UHFFFAOYSA-N
XLogP3.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(N-benzylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157814
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
6-[benzyl(ethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109157538
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413
N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113021176
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
2-[2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]ethoxy]acetic acid
CID 79456816

Frequently Asked Questions

What is the IUPAC name of 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 109153077) is 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(N(Cc2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is SJFZFWFWFWLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-15-14-23-22(26)19-12-13-21(24-16-19)25(20-10-6-3-7-11-20)17-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,23,26).
What are the key properties of 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).