N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide

C26H29FN4O3 — CID 176960344

IUPACN-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
SMILESCC(=O)NC(C)(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4cccc(F)c4C3)cc2)CC1
InChIInChI=1S/C26H29FN4O3/c1-17(32)29-26(2,3)24(33)30-13-11-19(12-14-30)18-7-9-21(10-8-18)28-25(34)31-15-20-5-4-6-23(27)22(20)16-31/h4-11H,12-16H2,1-3H3,(H,28,34)(H,29,32)
InChIKeyOYGQXRPUUKXGTE-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.90
Rot. Bonds4

About N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide

N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide (PubChem CID 176960344) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
PubChem CID176960344
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
SMILESCC(=O)NC(C)(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4cccc(F)c4C3)cc2)CC1
InChIInChI=1S/C26H29FN4O3/c1-17(32)29-26(2,3)24(33)30-13-11-19(12-14-30)18-7-9-21(10-8-18)28-25(34)31-15-20-5-4-6-23(27)22(20)16-31/h4-11H,12-16H2,1-3H3,(H,28,34)(H,29,32)
InChIKeyOYGQXRPUUKXGTE-UHFFFAOYSA-N
XLogP3.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960644
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
5-fluoro-N-[4-[1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoacetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960401
N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 68753181
4-fluoro-N-[4-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-bicyclo[2.2.2]octanyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960828
N-[4-[1-(dimethylaminosulfanylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176961080
N-[4-(1-acetylsulfinamoyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960683
5-fluoro-2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline
CID 154872341
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002
N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89157968
4-(4-methylphenyl)-N-(4-sulfamoylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 17416490
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide (CID 176960344) is N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide is CC(=O)NC(C)(C)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4cccc(F)c4C3)cc2)CC1.
What is the InChIKey of N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is OYGQXRPUUKXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-17(32)29-26(2,3)24(33)30-13-11-19(12-14-30)18-7-9-21(10-8-18)28-25(34)31-15-20-5-4-6-23(27)22(20)16-31/h4-11H,12-16H2,1-3H3,(H,28,34)(H,29,32).
What are the key properties of N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 176960344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).