N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide

C22H23N3O — CID 109209759

IUPACN-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
SMILESCCN(c1cccc(C)c1)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-3-25(19-11-7-8-17(2)14-19)20-12-13-23-21(15-20)22(26)24-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyVAUSUZWBMVNIEZ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.48
Rot. Bonds6

About N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide

N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide (PubChem CID 109209759) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
PubChem CID109209759
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
SMILESCCN(c1cccc(C)c1)c1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H23N3O/c1-3-25(19-11-7-8-17(2)14-19)20-12-13-23-21(15-20)22(26)24-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyVAUSUZWBMVNIEZ-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
5-(N-ethyl-3-methylanilino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280618
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327723
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
5-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide (CID 109209759) is N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide is CCN(c1cccc(C)c1)c1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
The InChIKey is VAUSUZWBMVNIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-25(19-11-7-8-17(2)14-19)20-12-13-23-21(15-20)22(26)24-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide?
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109209759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).