(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C16H15FN4O2 — CID 120965571

IUPAC(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15FN4O2/c17-12-6-13(14(18)22)21(9-12)16(23)11-7-19-15(20-8-11)10-4-2-1-3-5-10/h1-5,7-8,12-13H,6,9H2,(H2,18,22)/t12-,13+/m1/s1
InChIKeyVHHIUTDTQPIDSM-OLZOCXBDSA-N
MW314.32 g/mol
LogP1.18
Rot. Bonds3

About (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 120965571) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID120965571
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15FN4O2/c17-12-6-13(14(18)22)21(9-12)16(23)11-7-19-15(20-8-11)10-4-2-1-3-5-10/h1-5,7-8,12-13H,6,9H2,(H2,18,22)/t12-,13+/m1/s1
InChIKeyVHHIUTDTQPIDSM-OLZOCXBDSA-N
XLogP1.18
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 120965545
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
methyl (2S,4S)-1-benzoyl-4-fluoropyrrolidine-2-carboxylate
CID 54485156
(2S,4R)-1-(3,3-diphenylpropanoyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965340
(2R,4R)-4-fluoro-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 71256287
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
[(3aR,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 97083074
(2S,4R)-4-fluoro-1-(2-pyridin-3-yloxyacetyl)pyrrolidine-2-carboxamide
CID 120965444
(2S,4R)-4-fluoro-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]pyrrolidine-2-carboxamide
CID 120965396
(2S,4R)-4-fluoro-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxamide
CID 120965400

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 120965571) is (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is VHHIUTDTQPIDSM-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-12-6-13(14(18)22)21(9-12)16(23)11-7-19-15(20-8-11)10-4-2-1-3-5-10/h1-5,7-8,12-13H,6,9H2,(H2,18,22)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).