N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide

C22H24FN3O3 — CID 73426356

IUPACN-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
SMILESCC1(C)C(=O)N(CCCOC2CC2)c2cc(NC(=O)c3ccncc3F)ccc21
InChIInChI=1S/C22H24FN3O3/c1-22(2)17-7-4-14(25-20(27)16-8-9-24-13-18(16)23)12-19(17)26(21(22)28)10-3-11-29-15-5-6-15/h4,7-9,12-13,15H,3,5-6,10-11H2,1-2H3,(H,25,27)
InChIKeyGYSXNUYPQAGIDK-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.67
Rot. Bonds7

About N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide

N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 73426356) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
PubChem CID73426356
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
SMILESCC1(C)C(=O)N(CCCOC2CC2)c2cc(NC(=O)c3ccncc3F)ccc21
InChIInChI=1S/C22H24FN3O3/c1-22(2)17-7-4-14(25-20(27)16-8-9-24-13-18(16)23)12-19(17)26(21(22)28)10-3-11-29-15-5-6-15/h4,7-9,12-13,15H,3,5-6,10-11H2,1-2H3,(H,25,27)
InChIKeyGYSXNUYPQAGIDK-UHFFFAOYSA-N
XLogP3.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide
CID 90046433
N-[1-(3-cyclopropylsulfonylpropyl)-3,3-dimethyl-2-oxoindol-6-yl]pyridine-4-carboxamide
CID 73426361
3-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)pyridine-4-carboxamide
CID 75515505
N-(1'-cyclopropyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)-3-methylpyridine-4-carboxamide
CID 121408612
5,6-diamino-1-(2-cyclopropyloxyethyl)-3,3-dimethylindol-2-one
CID 59300976
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950704
3-fluoro-N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]pyridine-4-carboxamide
CID 131905829
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide (CID 73426356) is N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide is CC1(C)C(=O)N(CCCOC2CC2)c2cc(NC(=O)c3ccncc3F)ccc21.
What is the InChIKey of N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is GYSXNUYPQAGIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-22(2)17-7-4-14(25-20(27)16-8-9-24-13-18(16)23)12-19(17)26(21(22)28)10-3-11-29-15-5-6-15/h4,7-9,12-13,15H,3,5-6,10-11H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide?
N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyloxypropyl)-3,3-dimethyl-2-oxoindol-6-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 73426356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).