N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

C18H23Cl2N3O3 — CID 119888485

IUPACN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1cccc(Oc2ccc(NC(=O)C3CC(O)CN3)cn2)c1C.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-11-4-3-5-16(12(11)2)24-17-7-6-13(9-20-17)21-18(23)15-8-14(22)10-19-15;;/h3-7,9,14-15,19,22H,8,10H2,1-2H3,(H,21,23);2*1H
InChIKeyGGYGNFZVUOOUJF-UHFFFAOYSA-N
MW400.31 g/mol
LogP3.00
Rot. Bonds4

About N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119888485) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119888485
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC NameN-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCc1cccc(Oc2ccc(NC(=O)C3CC(O)CN3)cn2)c1C.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-11-4-3-5-16(12(11)2)24-17-7-6-13(9-20-17)21-18(23)15-8-14(22)10-19-15;;/h3-7,9,14-15,19,22H,8,10H2,1-2H3,(H,21,23);2*1H
InChIKeyGGYGNFZVUOOUJF-UHFFFAOYSA-N
XLogP3.00
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119888475
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119858535
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942250
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119840261

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119888485) is N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is Cc1cccc(Oc2ccc(NC(=O)C3CC(O)CN3)cn2)c1C.Cl.Cl.
What is the InChIKey of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is GGYGNFZVUOOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.2ClH/c1-11-4-3-5-16(12(11)2)24-17-7-6-13(9-20-17)21-18(23)15-8-14(22)10-19-15;;/h3-7,9,14-15,19,22H,8,10H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 400.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119888485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).