4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide

C11H14FN3O2 — CID 154736957

IUPAC4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2C[C@@H](F)C[C@H]2CO)ccn1
InChIInChI=1S/C11H14FN3O2/c12-7-3-9(6-16)15(5-7)8-1-2-14-10(4-8)11(13)17/h1-2,4,7,9,16H,3,5-6H2,(H2,13,17)/t7-,9-/m0/s1
InChIKeyPIELUIGLNYVGAY-CBAPKCEASA-N
MW239.25 g/mol
LogP0.09
Rot. Bonds3

About 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide

4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide (PubChem CID 154736957) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
PubChem CID154736957
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2C[C@@H](F)C[C@H]2CO)ccn1
InChIInChI=1S/C11H14FN3O2/c12-7-3-9(6-16)15(5-7)8-1-2-14-10(4-8)11(13)17/h1-2,4,7,9,16H,3,5-6H2,(H2,13,17)/t7-,9-/m0/s1
InChIKeyPIELUIGLNYVGAY-CBAPKCEASA-N
XLogP0.09
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-4-fluoro-1-[6-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 128979662
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 167754143
4-[2-(hydroxymethyl)azepan-1-yl]pyridine-2-carbothioamide
CID 116634846
1-(2-carbamoyl-4-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43517506
4-[2-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63855111
4-[2-(hydroxymethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 62924925
1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 128979585
N-ethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409376
N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409424
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 128988214
4-(4-benzylsulfonylpiperazin-1-yl)pyridine-2-carboxamide
CID 133313373

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide (CID 154736957) is 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide is NC(=O)c1cc(N2C[C@@H](F)C[C@H]2CO)ccn1.
What is the InChIKey of 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is PIELUIGLNYVGAY-CBAPKCEASA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-7-3-9(6-16)15(5-7)8-1-2-14-10(4-8)11(13)17/h1-2,4,7,9,16H,3,5-6H2,(H2,13,17)/t7-,9-/m0/s1.
What are the key properties of 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide?
4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154736957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).