5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C16H18F2N4O — CID 109229244

IUPAC5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H18F2N4O/c1-22(2)6-5-20-16(23)11-7-13(10-19-9-11)21-15-4-3-12(17)8-14(15)18/h3-4,7-10,21H,5-6H2,1-2H3,(H,20,23)
InChIKeySMHKPTCLPGBPQJ-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.39
Rot. Bonds6

About 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 109229244) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID109229244
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H18F2N4O/c1-22(2)6-5-20-16(23)11-7-13(10-19-9-11)21-15-4-3-12(17)8-14(15)18/h3-4,7-10,21H,5-6H2,1-2H3,(H,20,23)
InChIKeySMHKPTCLPGBPQJ-UHFFFAOYSA-N
XLogP2.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
5-(2,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235876
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229190
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218
N-(4-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109244598
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109226790
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 109229244) is 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(Nc2ccc(F)cc2F)c1.
What is the InChIKey of 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is SMHKPTCLPGBPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c1-22(2)6-5-20-16(23)11-7-13(10-19-9-11)21-15-4-3-12(17)8-14(15)18/h3-4,7-10,21H,5-6H2,1-2H3,(H,20,23).
What are the key properties of 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).