N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide

C22H23N3O — CID 113012579

IUPACN-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C22H23N3O/c1-3-25(16-18-7-5-4-6-8-18)21-14-13-20(15-23-21)24-22(26)19-11-9-17(2)10-12-19/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyZVYXKKFMSHDOSQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.67
Rot. Bonds6

About N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide

N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide (PubChem CID 113012579) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
PubChem CID113012579
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(C)cc2)cn1
InChIInChI=1S/C22H23N3O/c1-3-25(16-18-7-5-4-6-8-18)21-14-13-20(15-23-21)24-22(26)19-11-9-17(2)10-12-19/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyZVYXKKFMSHDOSQ-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
2-amino-N-[6-[benzyl(ethyl)amino]-3-pyridinyl]acetamide
CID 39181885
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
N-[6-(diethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113014581
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide (CID 113012579) is N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide is CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(C)cc2)cn1.
What is the InChIKey of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide?
The InChIKey is ZVYXKKFMSHDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-25(16-18-7-5-4-6-8-18)21-14-13-20(15-23-21)24-22(26)19-11-9-17(2)10-12-19/h4-15H,3,16H2,1-2H3,(H,24,26).
What are the key properties of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide?
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide has a molecular weight of 345.45 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113012579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).