N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide

C17H20N2O2 — CID 60806004

IUPACN-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2ccccc2c1O)C1CCNC1
InChIInChI=1S/C17H20N2O2/c1-2-19(13-9-10-18-11-13)17(21)15-8-7-12-5-3-4-6-14(12)16(15)20/h3-8,13,18,20H,2,9-11H2,1H3
InChIKeyMLMWGOBAZRMTEE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.37
Rot. Bonds3

About N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide

N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide (PubChem CID 60806004) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
PubChem CID60806004
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
SMILESCCN(C(=O)c1ccc2ccccc2c1O)C1CCNC1
InChIInChI=1S/C17H20N2O2/c1-2-19(13-9-10-18-11-13)17(21)15-8-7-12-5-3-4-6-14(12)16(15)20/h3-8,13,18,20H,2,9-11H2,1H3
InChIKeyMLMWGOBAZRMTEE-UHFFFAOYSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
N-(2-aminoethyl)-N-cyclobutyl-1-hydroxynaphthalene-2-carboxamide
CID 102874121
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119531656
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide?
The IUPAC name of N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide (CID 60806004) is N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide is CCN(C(=O)c1ccc2ccccc2c1O)C1CCNC1.
What is the InChIKey of N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide?
The InChIKey is MLMWGOBAZRMTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19(13-9-10-18-11-13)17(21)15-8-7-12-5-3-4-6-14(12)16(15)20/h3-8,13,18,20H,2,9-11H2,1H3.
What are the key properties of N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide?
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 60806004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).