N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H29FN6O3 — CID 68700166

IUPACN-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCC(C#N)(Nc4cccnc4)C(C)(C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H29FN6O3/c1-17(33)29-13-20-14-32(23(34)35-20)19-6-7-22(21(26)11-19)31-10-8-25(15-27,24(2,3)16-31)30-18-5-4-9-28-12-18/h4-7,9,11-12,20,30H,8,10,13-14,16H2,1-3H3,(H,29,33)
InChIKeyFAUTVFHRIIVGHZ-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.29
Rot. Bonds6

About N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68700166) has the molecular formula C25H29FN6O3 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID68700166
Molecular FormulaC25H29FN6O3
Molecular Weight480.54 g/mol
Exact Mass480.23
IUPAC NameN-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCC(C#N)(Nc4cccnc4)C(C)(C)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H29FN6O3/c1-17(33)29-13-20-14-32(23(34)35-20)19-6-7-22(21(26)11-19)31-10-8-25(15-27,24(2,3)16-31)30-18-5-4-9-28-12-18/h4-7,9,11-12,20,30H,8,10,13-14,16H2,1-3H3,(H,29,33)
InChIKeyFAUTVFHRIIVGHZ-UHFFFAOYSA-N
XLogP3.29
TPSA110.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-(2-methyl-6-azaspiro[2.5]octan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70883888
N-[[(5S)-3-[4-(3a,6a-dimethyl-2-oxo-1,3,4,6-tetrahydropyrrolo[3,4-d]imidazol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 155725001
ethyl 2-[1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-4-cyanopiperidin-4-yl]-2-cyanoacetate
CID 68699857
N-[[(5S)-3-[4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;methane
CID 158936286
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-3-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 122205194
N-[[(5S)-3-[4-[(3S)-3-cyanopyrrolidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44610035
N-[[3-[4-(3-cyanopyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67132306
N-[[3-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462595
N-[[3-[3-fluoro-4-(2-methyl-5-oxo-2,9-diazaspiro[5.5]undecan-9-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68719622
N-[[(5S)-3-[4-(1-cyanocyclopropyl)-3-pyridin-3-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20616612
N-[[(5S)-3-[4-[4-[cyano(cyclopropyl)methyl]-4-hydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11339414

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68700166) is N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC(C#N)(Nc4cccnc4)C(C)(C)C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FAUTVFHRIIVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-17(33)29-13-20-14-32(23(34)35-20)19-6-7-22(21(26)11-19)31-10-8-25(15-27,24(2,3)16-31)30-18-5-4-9-28-12-18/h4-7,9,11-12,20,30H,8,10,13-14,16H2,1-3H3,(H,29,33).
What are the key properties of N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 480.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-cyano-3,3-dimethyl-4-(pyridin-3-ylamino)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68700166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).