N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide

C16H17FN4O2 — CID 131920050

IUPACN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C16H17FN4O2/c1-21(2)10-15(22)19-13-3-5-14(6-4-13)20-16(23)11-7-12(17)9-18-8-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVHXIXPLZRYKLQA-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.97
Rot. Bonds5

About N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide

N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 131920050) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID131920050
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide
SMILESCN(C)CC(=O)Nc1ccc(NC(=O)c2cncc(F)c2)cc1
InChIInChI=1S/C16H17FN4O2/c1-21(2)10-15(22)19-13-3-5-14(6-4-13)20-16(23)11-7-12(17)9-18-8-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVHXIXPLZRYKLQA-UHFFFAOYSA-N
XLogP1.97
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[4-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 104786162
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-fluoropyridine-3-carboxamide
CID 122296492
5-fluoro-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-3-carboxamide
CID 104786337
N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-(4-amino-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 104785444
5-hydroxy-N-[4-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 63859925
5-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 113287958
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
N-(5-fluoro-3-pyridinyl)-4-(methylamino)benzamide
CID 114253893

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide (CID 131920050) is N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide is CN(C)CC(=O)Nc1ccc(NC(=O)c2cncc(F)c2)cc1.
What is the InChIKey of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is VHXIXPLZRYKLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-21(2)10-15(22)19-13-3-5-14(6-4-13)20-16(23)11-7-12(17)9-18-8-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide?
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 131920050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).