N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide

C22H23N3O2 — CID 109210957

IUPACN-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-3-27-21-12-8-7-11-19(21)24-18-13-14-23-20(15-18)22(26)25(2)16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,23,24)
InChIKeyPPOLMLRTSZXOPR-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.50
Rot. Bonds7

About N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide

N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109210957) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide
PubChem CID109210957
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-3-27-21-12-8-7-11-19(21)24-18-13-14-23-20(15-18)22(26)25(2)16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,23,24)
InChIKeyPPOLMLRTSZXOPR-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109210988
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
[4-(2-ethoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203739
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide (CID 109210957) is N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide is CCOc1ccccc1Nc1ccnc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is PPOLMLRTSZXOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-27-21-12-8-7-11-19(21)24-18-13-14-23-20(15-18)22(26)25(2)16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide?
N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-ethoxyanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109210957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).