N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide

C19H20FN3O2 — CID 136586785

IUPACN-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(F)ccc1[C@@H](C)NC(=O)c1cncc(N2CCCC2=O)c1
InChIInChI=1S/C19H20FN3O2/c1-12-8-15(20)5-6-17(12)13(2)22-19(25)14-9-16(11-21-10-14)23-7-3-4-18(23)24/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyAUVUYRKLOKNFJI-CYBMUJFWSA-N
MW341.39 g/mol
LogP3.15
Rot. Bonds4

About N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide

N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 136586785) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID136586785
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(F)ccc1[C@@H](C)NC(=O)c1cncc(N2CCCC2=O)c1
InChIInChI=1S/C19H20FN3O2/c1-12-8-15(20)5-6-17(12)13(2)22-19(25)14-9-16(11-21-10-14)23-7-3-4-18(23)24/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyAUVUYRKLOKNFJI-CYBMUJFWSA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45220458
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 100639599
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
1-[1-(2,4-dimethylphenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 133215393
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
4-fluoro-2-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 115745779
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide (CID 136586785) is N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cncc(N2CCCC2=O)c1.
What is the InChIKey of N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is AUVUYRKLOKNFJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-8-15(20)5-6-17(12)13(2)22-19(25)14-9-16(11-21-10-14)23-7-3-4-18(23)24/h5-6,8-11,13H,3-4,7H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluoro-2-methylphenyl)ethyl]-5-(2-oxopyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 136586785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).