N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide

C19H23IN2O2 — CID 14528113

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2cc(I)ccc2cc1OC
InChIInChI=1S/C19H23IN2O2/c1-3-22-8-4-5-16(22)12-21-19(23)17-10-14-9-15(20)7-6-13(14)11-18(17)24-2/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyGCZXCWWIJNGSKF-INIZCTEOSA-N
MW438.31 g/mol
LogP3.67
Rot. Bonds5

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide (PubChem CID 14528113) has the molecular formula C19H23IN2O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
PubChem CID14528113
Molecular FormulaC19H23IN2O2
Molecular Weight438.31 g/mol
Exact Mass438.08
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc2cc(I)ccc2cc1OC
InChIInChI=1S/C19H23IN2O2/c1-3-22-8-4-5-16(22)12-21-19(23)17-10-14-9-15(20)7-6-13(14)11-18(17)24-2/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyGCZXCWWIJNGSKF-INIZCTEOSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide (CID 14528113) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide is CCN1CCC[C@H]1CNC(=O)c1cc2cc(I)ccc2cc1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide?
The InChIKey is GCZXCWWIJNGSKF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23IN2O2/c1-3-22-8-4-5-16(22)12-21-19(23)17-10-14-9-15(20)7-6-13(14)11-18(17)24-2/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide has a molecular weight of 438.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 14528113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).