(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide

C18H20FN5O2 — CID 121495794

IUPAC(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1nc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)ncc1F
InChIInChI=1S/C18H20FN5O2/c1-23(2)17-13(19)10-21-16(22-17)11-5-7-12(8-6-11)18(26)24-9-3-4-14(24)15(20)25/h5-8,10,14H,3-4,9H2,1-2H3,(H2,20,25)/t14-/m0/s1
InChIKeyGGXZRBRMHCDSNA-AWEZNQCLSA-N
MW357.39 g/mol
LogP1.44
Rot. Bonds4

About (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide

(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 121495794) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide
PubChem CID121495794
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide
SMILESCN(C)c1nc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)ncc1F
InChIInChI=1S/C18H20FN5O2/c1-23(2)17-13(19)10-21-16(22-17)11-5-7-12(8-6-11)18(26)24-9-3-4-14(24)15(20)25/h5-8,10,14H,3-4,9H2,1-2H3,(H2,20,25)/t14-/m0/s1
InChIKeyGGXZRBRMHCDSNA-AWEZNQCLSA-N
XLogP1.44
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 162628535
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107021942
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
CID 126793563
1-(5-fluoro-6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 146074769
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide (CID 121495794) is (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide is CN(C)c1nc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)ncc1F.
What is the InChIKey of (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is GGXZRBRMHCDSNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-23(2)17-13(19)10-21-16(22-17)11-5-7-12(8-6-11)18(26)24-9-3-4-14(24)15(20)25/h5-8,10,14H,3-4,9H2,1-2H3,(H2,20,25)/t14-/m0/s1.
What are the key properties of (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide?
(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 121495794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).