N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide

C16H16F2N4O2 — CID 86801237

IUPACN-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C16H16F2N4O2/c1-9(23)20-13-7-11(17)12(18)8-14(13)21-16(24)15-6-10(22(2)3)4-5-19-15/h4-8H,1-3H3,(H,20,23)(H,21,24)
InChIKeyMERKWEHILNOSLG-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.64
Rot. Bonds4

About N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide

N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide (PubChem CID 86801237) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
PubChem CID86801237
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC NameN-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C16H16F2N4O2/c1-9(23)20-13-7-11(17)12(18)8-14(13)21-16(24)15-6-10(22(2)3)4-5-19-15/h4-8H,1-3H3,(H,20,23)(H,21,24)
InChIKeyMERKWEHILNOSLG-UHFFFAOYSA-N
XLogP2.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-4-(dimethylamino)pyridine-2-carboxamide
CID 99828836
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
(4-chlorophenyl)-[4-(dimethylamino)-2-pyridinyl]methanone
CID 138968408
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-(dimethylamino)-N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide
CID 99831552
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 47166032

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide (CID 86801237) is N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide is CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide?
The InChIKey is MERKWEHILNOSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c1-9(23)20-13-7-11(17)12(18)8-14(13)21-16(24)15-6-10(22(2)3)4-5-19-15/h4-8H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide?
N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4,5-difluorophenyl)-4-(dimethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 86801237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).