(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

C11H14FN3O2 — CID 128978202

IUPAC(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2F)C1
InChIInChI=1S/C11H14FN3O2/c1-17-7-5-9(10(13)16)15(6-7)11-8(12)3-2-4-14-11/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m0/s1
InChIKeyMNBRJZFMQTWPMG-CBAPKCEASA-N
MW239.25 g/mol
LogP0.30
Rot. Bonds3

About (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128978202) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID128978202
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2F)C1
InChIInChI=1S/C11H14FN3O2/c1-17-7-5-9(10(13)16)15(6-7)11-8(12)3-2-4-14-11/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m0/s1
InChIKeyMNBRJZFMQTWPMG-CBAPKCEASA-N
XLogP0.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-(3-chloro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
CID 128978229
(2S,4S)-4-methoxy-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 128978423
(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-methoxypyrrolidine-2-carboxamide
CID 167773559
(2S,4S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 128978284
(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120923487
(2S,4R)-4-methoxy-1-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 67562128
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43517506
[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929256
tert-butyl 5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 172906255
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide (CID 128978202) is (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2F)C1.
What is the InChIKey of (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is MNBRJZFMQTWPMG-CBAPKCEASA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-17-7-5-9(10(13)16)15(6-7)11-8(12)3-2-4-14-11/h2-4,7,9H,5-6H2,1H3,(H2,13,16)/t7-,9-/m0/s1.
What are the key properties of (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-fluoro-2-pyridinyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128978202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).