(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide

C18H21N3O3 — CID 125165700

IUPAC(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@](O)(c3ccccc3C)C2)cn1
InChIInChI=1S/C18H21N3O3/c1-13-5-3-4-6-15(13)18(23)9-10-21(12-18)17(22)20-14-7-8-16(24-2)19-11-14/h3-8,11,23H,9-10,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyBHTQQUQFRXADFW-SFHVURJKSA-N
MW327.38 g/mol
LogP2.52
Rot. Bonds3

About (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 125165700) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID125165700
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@](O)(c3ccccc3C)C2)cn1
InChIInChI=1S/C18H21N3O3/c1-13-5-3-4-6-15(13)18(23)9-10-21(12-18)17(22)20-14-7-8-16(24-2)19-11-14/h3-8,11,23H,9-10,12H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyBHTQQUQFRXADFW-SFHVURJKSA-N
XLogP2.52
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
(3R)-3-hydroxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126444923
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
(2S)-2-ethyl-N-(6-methoxy-3-pyridinyl)morpholine-4-carboxamide
CID 97097741
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 94031810
4-[2-(4-chlorophenyl)acetyl]-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 136577034
N-(6-methoxy-3-pyridinyl)-2,3-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-carbothioamide
CID 123725874
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 107393911
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 56894930

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 125165700) is (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CC[C@@](O)(c3ccccc3C)C2)cn1.
What is the InChIKey of (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BHTQQUQFRXADFW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-5-3-4-6-15(13)18(23)9-10-21(12-18)17(22)20-14-7-8-16(24-2)19-11-14/h3-8,11,23H,9-10,12H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125165700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).