N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide

C21H19F2N3O — CID 109234812

IUPACN-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-10-18(13-24-12-16)25-17-8-9-19(22)20(23)11-17/h3-13,25H,2,14H2,1H3
InChIKeyIQIXSFNJXDHFOU-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.77
Rot. Bonds6

About N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide

N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide (PubChem CID 109234812) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
PubChem CID109234812
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-10-18(13-24-12-16)25-17-8-9-19(22)20(23)11-17/h3-13,25H,2,14H2,1H3
InChIKeyIQIXSFNJXDHFOU-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-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765
N-benzyl-2-(3,4-difluoroanilino)-N-ethylpyridine-4-carboxamide
CID 109171558
N-benzyl-5-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233093
N-benzyl-5-(4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109233085
5-N-benzyl-5-N-ethyl-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105843
N-benzyl-N-ethyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109234803
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
5-N-benzyl-5-N-ethyl-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103413

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide (CID 109234812) is N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cncc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
The InChIKey is IQIXSFNJXDHFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)21(27)16-10-18(13-24-12-16)25-17-8-9-19(22)20(23)11-17/h3-13,25H,2,14H2,1H3.
What are the key properties of N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide?
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-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-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109234812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).