(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide

C18H21N3O3 — CID 124607684

IUPAC(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)N3CC[C@H](O)C3)cn2)c1C
InChIInChI=1S/C18H21N3O3/c1-12-4-3-5-16(13(12)2)24-17-7-6-14(10-19-17)20-18(23)21-9-8-15(22)11-21/h3-7,10,15,22H,8-9,11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyFTEMHCJYIWMVPU-HNNXBMFYSA-N
MW327.38 g/mol
LogP3.09
Rot. Bonds3

About (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 124607684) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID124607684
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1cccc(Oc2ccc(NC(=O)N3CC[C@H](O)C3)cn2)c1C
InChIInChI=1S/C18H21N3O3/c1-12-4-3-5-16(13(12)2)24-17-7-6-14(10-19-17)20-18(23)21-9-8-15(22)11-21/h3-7,10,15,22H,8-9,11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyFTEMHCJYIWMVPU-HNNXBMFYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091824
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide (CID 124607684) is (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide is Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](O)C3)cn2)c1C.
What is the InChIKey of (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is FTEMHCJYIWMVPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-3-5-16(13(12)2)24-17-7-6-14(10-19-17)20-18(23)21-9-8-15(22)11-21/h3-7,10,15,22H,8-9,11H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 124607684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).