(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide

C12H14FN3O2 — CID 128983967

IUPAC(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C(N)=O
InChIInChI=1S/C12H14FN3O2/c1-7-5-16(6-10(7)11(14)17)12(18)8-2-9(13)4-15-3-8/h2-4,7,10H,5-6H2,1H3,(H2,14,17)/t7-,10-/m1/s1
InChIKeyJOUJPFCEGBUAJT-GMSGAONNSA-N
MW251.26 g/mol
LogP0.41
Rot. Bonds2

About (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 128983967) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID128983967
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C(N)=O
InChIInChI=1S/C12H14FN3O2/c1-7-5-16(6-10(7)11(14)17)12(18)8-2-9(13)4-15-3-8/h2-4,7,10H,5-6H2,1H3,(H2,14,17)/t7-,10-/m1/s1
InChIKeyJOUJPFCEGBUAJT-GMSGAONNSA-N
XLogP0.41
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylate
CID 115694818
(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135
(3S,4S)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128984209
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 155260403
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 128988827
(3S,4S)-1-(6-fluoroquinoline-8-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 167880274
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide (CID 128983967) is (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide is C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is JOUJPFCEGBUAJT-GMSGAONNSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7-5-16(6-10(7)11(14)17)12(18)8-2-9(13)4-15-3-8/h2-4,7,10H,5-6H2,1H3,(H2,14,17)/t7-,10-/m1/s1.
What are the key properties of (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128983967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).