N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide

C23H25N3O3 — CID 109171538

IUPACN-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C23H25N3O3/c1-4-26(16-17-8-6-5-7-9-17)23(27)18-12-13-24-22(14-18)25-20-11-10-19(28-2)15-21(20)29-3/h5-15H,4,16H2,1-3H3,(H,24,25)
InChIKeyQKVLRDKTXNPUQS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.50
Rot. Bonds8

About N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide

N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide (PubChem CID 109171538) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
PubChem CID109171538
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C23H25N3O3/c1-4-26(16-17-8-6-5-7-9-17)23(27)18-12-13-24-22(14-18)25-20-11-10-19(28-2)15-21(20)29-3/h5-15H,4,16H2,1-3H3,(H,24,25)
InChIKeyQKVLRDKTXNPUQS-UHFFFAOYSA-N
XLogP4.50
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430
2-(2,4-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169277
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide (CID 109171538) is N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide?
The InChIKey is QKVLRDKTXNPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-26(16-17-8-6-5-7-9-17)23(27)18-12-13-24-22(14-18)25-20-11-10-19(28-2)15-21(20)29-3/h5-15H,4,16H2,1-3H3,(H,24,25).
What are the key properties of N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide?
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 109171538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).