N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide

C15H17FN4OS — CID 129006487

IUPACN-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)c1ccsc1
InChIInChI=1S/C15H17FN4OS/c16-12-6-13(7-19-15(21)11-2-5-22-10-11)20(8-12)9-14-17-3-1-4-18-14/h1-5,10,12-13H,6-9H2,(H,19,21)/t12-,13-/m0/s1
InChIKeyFFQIDUFEHGHNRC-STQMWFEESA-N
MW320.39 g/mol
LogP1.88
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 129006487) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
PubChem CID129006487
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)c1ccsc1
InChIInChI=1S/C15H17FN4OS/c16-12-6-13(7-19-15(21)11-2-5-22-10-11)20(8-12)9-14-17-3-1-4-18-14/h1-5,10,12-13H,6-9H2,(H,19,21)/t12-,13-/m0/s1
InChIKeyFFQIDUFEHGHNRC-STQMWFEESA-N
XLogP1.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-piperidin-1-yl)(thiophen-3-yl)methanone
CID 22282847
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(3-thienylmethyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72855573
[2-[Methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-3-ylmethanone
CID 110139350
N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}-3-methylthiophene-2-carboxamide
CID 91911030
N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}-2-(thiophen-3-YL)acetamide
CID 91911043
N-[2-(Azepan-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164738
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}thiophene-3-carboxamide
CID 49687694
N-[2-(Pyrrolidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164631
N-[2-(Piperidin-1-YL)pyrimidin-5-YL]thiophene-3-carboxamide
CID 53164680
N-{1-[6-(Dimethylamino)pyrimidin-4-YL]piperidin-3-YL}thiophene-3-carboxamide
CID 53185771
N-{1-[6-(Pyrrolidin-1-YL)pyrimidin-4-YL]piperidin-3-YL}thiophene-3-carboxamide
CID 53185797
N-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)thiophene-3-carboxamide
CID 71794949

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide (CID 129006487) is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide is O=C(NC[C@@H]1C[C@H](F)CN1Cc1ncccn1)c1ccsc1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is FFQIDUFEHGHNRC-STQMWFEESA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-12-6-13(7-19-15(21)11-2-5-22-10-11)20(8-12)9-14-17-3-1-4-18-14/h1-5,10,12-13H,6-9H2,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 129006487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).