N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide

C21H21N3O — CID 109231703

IUPACN-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
SMILESCCN(c1ccccc1)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-2-24(19-11-7-4-8-12-19)20-13-18(15-22-16-20)21(25)23-14-17-9-5-3-6-10-17/h3-13,15-16H,2,14H2,1H3,(H,23,25)
InChIKeyCNECYLIPOOZTAJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide

N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide (PubChem CID 109231703) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
PubChem CID109231703
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
SMILESCCN(c1ccccc1)c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H21N3O/c1-2-24(19-11-7-4-8-12-19)20-13-18(15-22-16-20)21(25)23-14-17-9-5-3-6-10-17/h3-13,15-16H,2,14H2,1H3,(H,23,25)
InChIKeyCNECYLIPOOZTAJ-UHFFFAOYSA-N
XLogP4.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
5-(N-ethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241654
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
N-(3-acetamidophenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243646
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105262

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide (CID 109231703) is N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide is CCN(c1ccccc1)c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide?
The InChIKey is CNECYLIPOOZTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-2-24(19-11-7-4-8-12-19)20-13-18(15-22-16-20)21(25)23-14-17-9-5-3-6-10-17/h3-13,15-16H,2,14H2,1H3,(H,23,25).
What are the key properties of N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide?
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109231703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).