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

C22H23N3O — CID 109212519

IUPACN-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccccc2C)ccn1
InChIInChI=1S/C22H23N3O/c1-3-25(16-18-10-5-4-6-11-18)22(26)21-15-19(13-14-23-21)24-20-12-8-7-9-17(20)2/h4-15H,3,16H2,1-2H3,(H,23,24)
InChIKeyMTIKBTYFPQCSNW-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.80
Rot. Bonds6

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

N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide (PubChem CID 109212519) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
PubChem CID109212519
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccccc2C)ccn1
InChIInChI=1S/C22H23N3O/c1-3-25(16-18-10-5-4-6-11-18)22(26)21-15-19(13-14-23-21)24-20-12-8-7-9-17(20)2/h4-15H,3,16H2,1-2H3,(H,23,24)
InChIKeyMTIKBTYFPQCSNW-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109212553
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109212562
N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216419
N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide
CID 109210957
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide (CID 109212519) is N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(Nc2ccccc2C)ccn1.
What is the InChIKey of N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide?
The InChIKey is MTIKBTYFPQCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-25(16-18-10-5-4-6-11-18)22(26)21-15-19(13-14-23-21)24-20-12-8-7-9-17(20)2/h4-15H,3,16H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide?
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109212519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).