(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide

C17H19N3O — CID 166803782

IUPAC(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESC[C@H]1CNC[C@@H]1C(=O)Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C17H19N3O/c1-12-9-19-11-16(12)17(21)20-15-6-2-4-13(8-15)14-5-3-7-18-10-14/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)/t12-,16-/m0/s1
InChIKeyLXQTZADRUDPMLV-LRDDRELGSA-N
MW281.36 g/mol
LogP2.54
Rot. Bonds3

About (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide

(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 166803782) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID166803782
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
SMILESC[C@H]1CNC[C@@H]1C(=O)Nc1cccc(-c2cccnc2)c1
InChIInChI=1S/C17H19N3O/c1-12-9-19-11-16(12)17(21)20-15-6-2-4-13(8-15)14-5-3-7-18-10-14/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)/t12-,16-/m0/s1
InChIKeyLXQTZADRUDPMLV-LRDDRELGSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methane;4-(oxan-4-yl)-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 158312980
N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839204
4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
(E)-3-[3-[(4-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339670
(3S,4R)-4-phenyl-N-[3-(pyridin-3-ylamino)phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 162471027
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
(3S,4S)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;(3S,4S)-4-benzyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;tert-butyl (3S,4S)-3-benzyl-4-[(3-pyridin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate;3-pyridin-3-ylaniline
CID 159005931
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715447
(3S,4R)-1,4-diphenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839330
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide (CID 166803782) is (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is C[C@H]1CNC[C@@H]1C(=O)Nc1cccc(-c2cccnc2)c1.
What is the InChIKey of (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LXQTZADRUDPMLV-LRDDRELGSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-9-19-11-16(12)17(21)20-15-6-2-4-13(8-15)14-5-3-7-18-10-14/h2-8,10,12,16,19H,9,11H2,1H3,(H,20,21)/t12-,16-/m0/s1.
What are the key properties of (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide?
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166803782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).