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

C18H23Cl2N3O3 — CID 119858535

IUPACN-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCCc1cccc(Oc2ccc(NC(=O)C3CC(O)CN3)cn2)c1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-2-12-4-3-5-15(8-12)24-17-7-6-13(10-20-17)21-18(23)16-9-14(22)11-19-16;;/h3-8,10,14,16,19,22H,2,9,11H2,1H3,(H,21,23);2*1H
InChIKeyAUUQAFJREGULMH-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.94
Rot. Bonds5

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

N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119858535) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119858535
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC NameN-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
SMILESCCc1cccc(Oc2ccc(NC(=O)C3CC(O)CN3)cn2)c1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-2-12-4-3-5-15(8-12)24-17-7-6-13(10-20-17)21-18(23)16-9-14(22)11-19-16;;/h3-8,10,14,16,19,22H,2,9,11H2,1H3,(H,21,23);2*1H
InChIKeyAUUQAFJREGULMH-UHFFFAOYSA-N
XLogP2.94
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119858536
(2S,4S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-2-methylpiperidine-4-carboxamide
CID 120635226
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888485
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
(3S)-N-[6-(3-ethylphenoxy)-3-pyridinyl]-1,1-dioxothiolane-3-carboxamide
CID 94008813
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795027
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119870347
4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride (CID 119858535) is N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is CCc1cccc(Oc2ccc(NC(=O)C3CC(O)CN3)cn2)c1.Cl.Cl.
What is the InChIKey of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is AUUQAFJREGULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.2ClH/c1-2-12-4-3-5-15(8-12)24-17-7-6-13(10-20-17)21-18(23)16-9-14(22)11-19-16;;/h3-8,10,14,16,19,22H,2,9,11H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride?
N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 400.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-ethylphenoxy)-3-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119858535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).