4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide

C21H19F2N3O — CID 109212657

IUPAC4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)17-10-11-24-20(13-17)21(27)25-19-9-8-16(22)12-18(19)23/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyLJVPLWLKSLPRIA-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.64
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 109212657) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID109212657
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)17-10-11-24-20(13-17)21(27)25-19-9-8-16(22)12-18(19)23/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyLJVPLWLKSLPRIA-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088871
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide (CID 109212657) is 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is LJVPLWLKSLPRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-2-26(14-15-6-4-3-5-7-15)17-10-11-24-20(13-17)21(27)25-19-9-8-16(22)12-18(19)23/h3-13H,2,14H2,1H3,(H,25,27).
What are the key properties of 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).