3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide

C17H20F2N4O2 — CID 128973857

IUPAC3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ccncc2F)on1
InChIInChI=1S/C17H20F2N4O2/c1-11-5-14(25-21-11)10-23-8-12(18)6-13(23)9-22(2)17(24)15-3-4-20-7-16(15)19/h3-5,7,12-13H,6,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyDDCYQSRSQPIJGG-STQMWFEESA-N
MW350.37 g/mol
LogP2.20
Rot. Bonds5

About 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide

3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 128973857) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID128973857
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ccncc2F)on1
InChIInChI=1S/C17H20F2N4O2/c1-11-5-14(25-21-11)10-23-8-12(18)6-13(23)9-22(2)17(24)15-3-4-20-7-16(15)19/h3-5,7,12-13H,6,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyDDCYQSRSQPIJGG-STQMWFEESA-N
XLogP2.20
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 128974033
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 128994900
(2R)-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129332335
N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-2-pyrazol-1-ylacetamide
CID 128991690
[3-[[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 128994779
5-cyano-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]pyridine-2-carboxamide
CID 128993381
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128990917
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 128969461
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,2-dimethylfuran-3-carboxamide
CID 128966832
1-[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]methanamine
CID 128994794
4-fluoro-N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylbenzamide
CID 128972423
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,4-dimethylthiophene-3-carboxamide
CID 128995028

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide (CID 128973857) is 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide is Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)c2ccncc2F)on1.
What is the InChIKey of 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is DDCYQSRSQPIJGG-STQMWFEESA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-11-5-14(25-21-11)10-23-8-12(18)6-13(23)9-22(2)17(24)15-3-4-20-7-16(15)19/h3-5,7,12-13H,6,8-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide?
3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(2S,4S)-4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 128973857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).