(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide

C19H20FN3O4 — CID 68686788

IUPAC(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1C(N)=O
InChIInChI=1S/C19H20FN3O4/c1-27-16-9-11(8-13(16)18(21)25)19(26)22-15-6-5-12(10-14(15)20)23-7-3-2-4-17(23)24/h2-7,10-11,13,16H,8-9H2,1H3,(H2,21,25)(H,22,26)/t11-,13-,16-/m0/s1
InChIKeyHXABFFAQNXGLTF-RBOXIYTFSA-N
MW373.38 g/mol
LogP1.44
Rot. Bonds5

About (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide

(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide (PubChem CID 68686788) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
PubChem CID68686788
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1C(N)=O
InChIInChI=1S/C19H20FN3O4/c1-27-16-9-11(8-13(16)18(21)25)19(26)22-15-6-5-12(10-14(15)20)23-7-3-2-4-17(23)24/h2-7,10-11,13,16H,8-9H2,1H3,(H2,21,25)(H,22,26)/t11-,13-,16-/m0/s1
InChIKeyHXABFFAQNXGLTF-RBOXIYTFSA-N
XLogP1.44
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide
CID 143419910
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68685877
methyl (3R,4R)-1-(2,2-difluoroethyl)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 59800165
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
ethyl 4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-3-carboxylate
CID 69114943
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
CID 173100301
dimethyl (E)-2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]but-2-enedioate
CID 168566903
tert-butyl (3R,4R)-3-acetyl-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59800163
5-chloro-N-[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 58826438

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide?
The IUPAC name of (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide (CID 68686788) is (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide.
What is the SMILES notation for (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide?
The canonical SMILES for (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide is CO[C@H]1C[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1C(N)=O.
What is the InChIKey of (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide?
The InChIKey is HXABFFAQNXGLTF-RBOXIYTFSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-27-16-9-11(8-13(16)18(21)25)19(26)22-15-6-5-12(10-14(15)20)23-7-3-2-4-17(23)24/h2-7,10-11,13,16H,8-9H2,1H3,(H2,21,25)(H,22,26)/t11-,13-,16-/m0/s1.
What are the key properties of (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide?
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 68686788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).