N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide

C17H16FN3O2 — CID 73425720

IUPACN-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccncc3)cc21
InChIInChI=1S/C17H16FN3O2/c1-17(2)11-8-12(18)13(9-14(11)21(3)16(17)23)20-15(22)10-4-6-19-7-5-10/h4-9H,1-3H3,(H,20,22)
InChIKeyUVBREWHAKBWAGY-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.73
Rot. Bonds2

About N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide

N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide (PubChem CID 73425720) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide
PubChem CID73425720
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide
SMILESCN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccncc3)cc21
InChIInChI=1S/C17H16FN3O2/c1-17(2)11-8-12(18)13(9-14(11)21(3)16(17)23)20-15(22)10-4-6-19-7-5-10/h4-9H,1-3H3,(H,20,22)
InChIKeyUVBREWHAKBWAGY-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-5-fluoro-3,3-dimethyl-2-oxoindol-6-yl)pyridazine-4-carboxamide
CID 118600317
N-(4,5-dichloro-2-fluorophenyl)pyridine-4-carboxamide
CID 100692060
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N-(3-methoxyphenyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764410
2-(3-fluorophenyl)-N-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110713676
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764430
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
CID 110742184
(1,3,3-trimethyl-2-oxoindol-5-yl)thiourea
CID 169359637
N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide
CID 73426361

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide?
The IUPAC name of N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide (CID 73425720) is N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide is CN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccncc3)cc21.
What is the InChIKey of N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide?
The InChIKey is UVBREWHAKBWAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-17(2)11-8-12(18)13(9-14(11)21(3)16(17)23)20-15(22)10-4-6-19-7-5-10/h4-9H,1-3H3,(H,20,22).
What are the key properties of N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide?
N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3,3-trimethyl-2-oxoindol-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 73425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).