N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride

C24H20ClFN2O2 — CID 162671228

IUPACN-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride
SMILESCOc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(F)cc4)cc3)ccc2c1.[Cl-]
InChIInChI=1S/C24H19FN2O2.ClH/c1-29-23-9-6-18-14-20(5-4-19(18)15-23)24(28)26-22-10-12-27(13-11-22)16-17-2-7-21(25)8-3-17;/h2-15H,16H2,1H3;1H
InChIKeyCUFONMMJIRLBOZ-UHFFFAOYSA-N
MW422.89 g/mol
LogP1.58
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride

N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride (PubChem CID 162671228) has the molecular formula C24H20ClFN2O2 and a molecular weight of 422.89 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride
PubChem CID162671228
Molecular FormulaC24H20ClFN2O2
Molecular Weight422.89 g/mol
Exact Mass422.12
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride
SMILESCOc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(F)cc4)cc3)ccc2c1.[Cl-]
InChIInChI=1S/C24H19FN2O2.ClH/c1-29-23-9-6-18-14-20(5-4-19(18)15-23)24(28)26-22-10-12-27(13-11-22)16-17-2-7-21(25)8-3-17;/h2-15H,16H2,1H3;1H
InChIKeyCUFONMMJIRLBOZ-UHFFFAOYSA-N
XLogP1.58
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide
CID 162660567
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-(1-benzylpyridin-1-ium-4-yl)-3,4-difluorobenzamide
CID 162674646
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
N-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]furan-2-carboxamide
CID 22587908
N-[2-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]ethyl]-6-methoxynaphthalene-2-carboxamide bromide
CID 162645266
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride (CID 162671228) is N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride is COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(F)cc4)cc3)ccc2c1.[Cl-].
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride?
The InChIKey is CUFONMMJIRLBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2.ClH/c1-29-23-9-6-18-14-20(5-4-19(18)15-23)24(28)26-22-10-12-27(13-11-22)16-17-2-7-21(25)8-3-17;/h2-15H,16H2,1H3;1H.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride?
N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride has a molecular weight of 422.89 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride is sourced from PubChem (CID 162671228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).