N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide

C21H19F2N3O — CID 109171558

IUPACN-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-10-11-24-20(12-16)25-17-8-9-18(22)19(23)13-17/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyMDEBKTXOEVYKPW-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.77
Rot. Bonds6

About N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide

N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide (PubChem CID 109171558) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
PubChem CID109171558
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-10-11-24-20(12-16)25-17-8-9-18(22)19(23)13-17/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyMDEBKTXOEVYKPW-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169821
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
2-(3,4-difluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169969
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide (CID 109171558) is N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccnc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide?
The InChIKey is MDEBKTXOEVYKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-10-11-24-20(12-16)25-17-8-9-18(22)19(23)13-17/h3-13H,2,14H2,1H3,(H,24,25).
What are the key properties of N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide?
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 109171558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).