(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

C18H20FN3O — CID 94806056

IUPAC(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c1-13-5-3-9-20-17(13)21-18(23)22-10-4-8-16(22)12-14-6-2-7-15(19)11-14/h2-3,5-7,9,11,16H,4,8,10,12H2,1H3,(H,20,21,23)/t16-/m0/s1
InChIKeyMOHGNCRWLNBMHB-INIZCTEOSA-N
MW313.38 g/mol
LogP3.77
Rot. Bonds3

About (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 94806056) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID94806056
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c1-13-5-3-9-20-17(13)21-18(23)22-10-4-8-16(22)12-14-6-2-7-15(19)11-14/h2-3,5-7,9,11,16H,4,8,10,12H2,1H3,(H,20,21,23)/t16-/m0/s1
InChIKeyMOHGNCRWLNBMHB-INIZCTEOSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063
3-fluoro-N-[5-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55877832
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 94106652
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785
2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026790
2-[(3-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 126767498
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 47069538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (CID 94806056) is (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is Cc1cccnc1NC(=O)N1CCC[C@H]1Cc1cccc(F)c1.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is MOHGNCRWLNBMHB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-13-5-3-9-20-17(13)21-18(23)22-10-4-8-16(22)12-14-6-2-7-15(19)11-14/h2-3,5-7,9,11,16H,4,8,10,12H2,1H3,(H,20,21,23)/t16-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94806056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).