N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide

C23H24N2O2 — CID 17461770

IUPACN-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O2/c1-27-22-14-19-10-6-5-9-18(19)13-21(22)23(26)24-20-11-12-25(16-20)15-17-7-3-2-4-8-17/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26)
InChIKeyMHBUXFIHOVRGPW-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.85
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide

N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 17461770) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID17461770
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O2/c1-27-22-14-19-10-6-5-9-18(19)13-21(22)23(26)24-20-11-12-25(16-20)15-17-7-3-2-4-8-17/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26)
InChIKeyMHBUXFIHOVRGPW-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide (CID 17461770) is N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is MHBUXFIHOVRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-22-14-19-10-6-5-9-18(19)13-21(22)23(26)24-20-11-12-25(16-20)15-17-7-3-2-4-8-17/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 17461770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).