4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide

C22H23N3O2 — CID 109205803

IUPAC4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(N(Cc2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O2/c1-27-15-14-24-22(26)21-16-20(12-13-23-21)25(19-10-6-3-7-11-19)17-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,24,26)
InChIKeyLOCLRLRFRRVWAR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.80
Rot. Bonds8

About 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide

4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109205803) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109205803
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(N(Cc2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O2/c1-27-15-14-24-22(26)21-16-20(12-13-23-21)25(19-10-6-3-7-11-19)17-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,24,26)
InChIKeyLOCLRLRFRRVWAR-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

4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
2-(N-benzylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300297
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153077
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109207788
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216

Frequently Asked Questions

What is the IUPAC name of 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109205803) is 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(N(Cc2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is LOCLRLRFRRVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-15-14-24-22(26)21-16-20(12-13-23-21)25(19-10-6-3-7-11-19)17-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3,(H,24,26).
What are the key properties of 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-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 4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).