3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide

C18H21N3O3 — CID 119043741

IUPAC3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C)(O)C2)ccc1Oc1cccnc1
InChIInChI=1S/C18H21N3O3/c1-13-10-14(20-17(22)21-9-7-18(2,23)12-21)5-6-16(13)24-15-4-3-8-19-11-15/h3-6,8,10-11,23H,7,9,12H2,1-2H3,(H,20,22)
InChIKeyAVMYSNUVQNEKTJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.17
Rot. Bonds3

About 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide

3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 119043741) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
PubChem CID119043741
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C)(O)C2)ccc1Oc1cccnc1
InChIInChI=1S/C18H21N3O3/c1-13-10-14(20-17(22)21-9-7-18(2,23)12-21)5-6-16(13)24-15-4-3-8-19-11-15/h3-6,8,10-11,23H,7,9,12H2,1-2H3,(H,20,22)
InChIKeyAVMYSNUVQNEKTJ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077887
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
CID 60580980
(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60582009
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
2-hydroxy-4-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 103357278

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide (CID 119043741) is 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(C)(O)C2)ccc1Oc1cccnc1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is AVMYSNUVQNEKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-10-14(20-17(22)21-9-7-18(2,23)12-21)5-6-16(13)24-15-4-3-8-19-11-15/h3-6,8,10-11,23H,7,9,12H2,1-2H3,(H,20,22).
What are the key properties of 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide?
3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119043741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).