N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide

C12H16ClN3O3 — CID 119900770

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cn1)C1CC(O)CN1
InChIInChI=1S/C12H16ClN3O3/c13-8-1-2-11(16-6-8)19-4-3-14-12(18)10-5-9(17)7-15-10/h1-2,6,9-10,15,17H,3-5,7H2,(H,14,18)
InChIKeyOZXKRXXOQQMIBO-UHFFFAOYSA-N
MW285.73 g/mol
LogP-0.05
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119900770) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119900770
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cn1)C1CC(O)CN1
InChIInChI=1S/C12H16ClN3O3/c13-8-1-2-11(16-6-8)19-4-3-14-12(18)10-5-9(17)7-15-10/h1-2,6,9-10,15,17H,3-5,7H2,(H,14,18)
InChIKeyOZXKRXXOQQMIBO-UHFFFAOYSA-N
XLogP-0.05
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119746756
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486
4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119900770) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCCOc1ccc(Cl)cn1)C1CC(O)CN1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is OZXKRXXOQQMIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-8-1-2-11(16-6-8)19-4-3-14-12(18)10-5-9(17)7-15-10/h1-2,6,9-10,15,17H,3-5,7H2,(H,14,18).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119900770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).