N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide

C20H20FN3O2 — CID 167075820

IUPACN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide
SMILESCC1CC(C#N)N(C(=O)CN(C)C(=O)c2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C20H20FN3O2/c1-13-7-18(10-22)24(11-13)19(25)12-23(2)20(26)16-4-3-15-9-17(21)6-5-14(15)8-16/h3-6,8-9,13,18H,7,11-12H2,1-2H3
InChIKeyVRSSJZUPZBQQLO-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.81
Rot. Bonds3

About N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide

N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide (PubChem CID 167075820) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide
PubChem CID167075820
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide
SMILESCC1CC(C#N)N(C(=O)CN(C)C(=O)c2ccc3cc(F)ccc3c2)C1
InChIInChI=1S/C20H20FN3O2/c1-13-7-18(10-22)24(11-13)19(25)12-23(2)20(26)16-4-3-15-9-17(21)6-5-14(15)8-16/h3-6,8-9,13,18H,7,11-12H2,1-2H3
InChIKeyVRSSJZUPZBQQLO-UHFFFAOYSA-N
XLogP2.81
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methylisoquinoline-6-carboxamide
CID 166487922
4-chloro-N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-2,3-difluoro-N-methylbenzamide
CID 167075509
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide
CID 167075779
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-N-methyl-1-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 167075325
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-N,1-dimethylindazole-6-carboxamide
CID 163372830
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-4,6-difluoro-N-[5-(4-formamidophenyl)pentyl]-1H-indole-2-carboxamide;2-methylpropane
CID 166127795
(5S)-1-[2-[(4-chlorobenzoyl)-methylamino]acetyl]-5-cyano-N-phenylpyrrolidine-3-carboxamide
CID 167075561
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-cyclopropyl-N-methyl-1,3,4-oxadiazole-2-carboxamide;2-methylpropane;N-phenylformamide
CID 163373203
(2S,4S)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]-4-methylpyrrolidine-2-carbonitrile
CID 58385814
N-[2-[2-cyano-4-(phenylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2-(difluoromethyl)-8-fluoro-N-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 163372903
N-[2-(2-cyano-4-formylpyrrolidin-1-yl)-2-oxoethyl]-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-methylpropanamide
CID 167445894
N-[1-[[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-2,2-difluoro-3-(4-fluorophenyl)propanamide;N-cyclohexa-1,5-dien-1-ylformamide;2,2-dimethylpropane;ethane
CID 167446423

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide (CID 167075820) is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide is CC1CC(C#N)N(C(=O)CN(C)C(=O)c2ccc3cc(F)ccc3c2)C1.
What is the InChIKey of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide?
The InChIKey is VRSSJZUPZBQQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-7-18(10-22)24(11-13)19(25)12-23(2)20(26)16-4-3-15-9-17(21)6-5-14(15)8-16/h3-6,8-9,13,18H,7,11-12H2,1-2H3.
What are the key properties of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide?
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-6-fluoro-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 167075820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).