N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide

C14H16FN3O2 — CID 61214046

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(C#N)cc(F)c2C)C1
InChIInChI=1S/C14H16FN3O2/c1-8-11(15)3-9(6-16)4-12(8)18-14(19)13-5-10(20-2)7-17-13/h3-4,10,13,17H,5,7H2,1-2H3,(H,18,19)
InChIKeySIRADTLLOOGWEC-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.32
Rot. Bonds3

About N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide

N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214046) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214046
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2cc(C#N)cc(F)c2C)C1
InChIInChI=1S/C14H16FN3O2/c1-8-11(15)3-9(6-16)4-12(8)18-14(19)13-5-10(20-2)7-17-13/h3-4,10,13,17H,5,7H2,1-2H3,(H,18,19)
InChIKeySIRADTLLOOGWEC-UHFFFAOYSA-N
XLogP1.32
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-2-methylphenyl)-2-[[(3S,4R)-4-methoxyoxolan-3-yl]amino]acetamide
CID 50958827
(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxopiperidin-1-yl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
CID 135281781
[(3R,5R)-5-[[5-[(3S)-3-amino-3-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 135281795
(2R,4R)-N-[5-[(3S)-3-cyclopropyl-3-(2-oxopiperidin-1-yl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
CID 135281804
[(3R,5R)-5-[[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 137359680
[5-[[5-[1-Amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]carbamoyl]pyrrolidin-3-yl] acetate
CID 137359682
(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
CID 145286628
(2R,4R)-N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
CID 145286656
Ph(3-CF3)-Val-Hyp(Ac)(Ac)-NH2
CID 145516021
N-[5-[3-cyclopropyl-1-(2-oxopiperidin-1-yl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
CID 145750090
(2R,4R)-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-4-ethoxypyrrolidine-2-carboxamide
CID 153178544
(E)-N-(3-cyano-4-fluorophenyl)-3-methyl-5-oxo-N'-(oxolan-3-yl)-2-propan-2-ylidene-4-propylhex-3-enediamide
CID 156092549

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214046) is N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2cc(C#N)cc(F)c2C)C1.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is SIRADTLLOOGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-11(15)3-9(6-16)4-12(8)18-14(19)13-5-10(20-2)7-17-13/h3-4,10,13,17H,5,7H2,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).