N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride

C29H24Cl2N2O — CID 162221982

IUPACN-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride
SMILESO=C(Nc1ccc(C[n+]2ccccc2Cl)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1.[Cl-]
InChIInChI=1S/C29H23ClN2O.ClH/c30-28-8-4-5-17-32(28)20-21-9-15-27(16-10-21)31-29(33)25-14-12-23-11-13-24(18-26(23)19-25)22-6-2-1-3-7-22;/h1-11,13,15-19H,12,14,20H2;1H
InChIKeyZUGBTRLDGPUCTD-UHFFFAOYSA-N
MW487.43 g/mol
LogP3.32
Rot. Bonds5

About N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride

N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride (PubChem CID 162221982) has the molecular formula C29H24Cl2N2O and a molecular weight of 487.43 g/mol. Its IUPAC name is N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride.

Molecular Properties

Compound NameN-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride
PubChem CID162221982
Molecular FormulaC29H24Cl2N2O
Molecular Weight487.43 g/mol
Exact Mass486.13
IUPAC NameN-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride
SMILESO=C(Nc1ccc(C[n+]2ccccc2Cl)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1.[Cl-]
InChIInChI=1S/C29H23ClN2O.ClH/c30-28-8-4-5-17-32(28)20-21-9-15-27(16-10-21)31-29(33)25-14-12-23-11-13-24(18-26(23)19-25)22-6-2-1-3-7-22;/h1-11,13,15-19H,12,14,20H2;1H
InChIKeyZUGBTRLDGPUCTD-UHFFFAOYSA-N
XLogP3.32
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride with MolForge

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

Launch Full Analysis

Related Compounds

7-phenyl-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472667
[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]methyl-tripropylazanium chloride
CID 18472230
N-[4-(morpholin-4-ylmethyl)phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide
CID 10788468
N-[4-[(1-methylazepan-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide iodide
CID 10650855
[4-[(7-phenyl-3,4-dihydronaphthalene-2-carbonyl)amino]phenyl]-tripropylazanium chloride
CID 69353759
7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 10765394
7-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472597
7-(4-methylphenyl)-N-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 18472546
N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
CID 141010175
7-(4-methylphenyl)-N-[4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propyl]phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 70283006
N-[4-(benzylsulfanylmethyl)phenyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 18472541
(5E)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-3-(4-methylphenyl)-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxamide
CID 142820571

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride?
The IUPAC name of N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride (CID 162221982) is N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride.
What is the SMILES notation for N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride?
The canonical SMILES for N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride is O=C(Nc1ccc(C[n+]2ccccc2Cl)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1.[Cl-].
What is the InChIKey of N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride?
The InChIKey is ZUGBTRLDGPUCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O.ClH/c30-28-8-4-5-17-32(28)20-21-9-15-27(16-10-21)31-29(33)25-14-12-23-11-13-24(18-26(23)19-25)22-6-2-1-3-7-22;/h1-11,13,15-19H,12,14,20H2;1H.
What are the key properties of N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride?
N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride has a molecular weight of 487.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride is sourced from PubChem (CID 162221982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).