4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride

C17H21ClN2O2 — CID 119552054

IUPAC4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C2CCNC2)c2ccccc12.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-19(12-9-10-18-11-12)17(20)15-7-8-16(21-2)14-6-4-3-5-13(14)15;/h3-8,12,18H,9-11H2,1-2H3;1H
InChIKeyIPTHBKNWSXYRHV-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.70
Rot. Bonds3

About 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride

4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride (PubChem CID 119552054) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
PubChem CID119552054
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)N(C)C2CCNC2)c2ccccc12.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-19(12-9-10-18-11-12)17(20)15-7-8-16(21-2)14-6-4-3-5-13(14)15;/h3-8,12,18H,9-11H2,1-2H3;1H
InChIKeyIPTHBKNWSXYRHV-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
2,3-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807050
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
2-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 119551826
N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119554637
N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119554410
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
4-bromo-2-methoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 115369622
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride (CID 119552054) is 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride is COc1ccc(C(=O)N(C)C2CCNC2)c2ccccc12.Cl.
What is the InChIKey of 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride?
The InChIKey is IPTHBKNWSXYRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c1-19(12-9-10-18-11-12)17(20)15-7-8-16(21-2)14-6-4-3-5-13(14)15;/h3-8,12,18H,9-11H2,1-2H3;1H.
What are the key properties of 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride?
4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 119552054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).