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

C24H20ClN2O2+ — CID 162660567

IUPACN-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(Cl)cc4)cc3)ccc2c1
InChIInChI=1S/C24H19ClN2O2/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/p+1
InChIKeyFLEWQQQRXKTJHE-UHFFFAOYSA-O
MW403.89 g/mol
LogP5.09
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide (PubChem CID 162660567) has the molecular formula C24H20ClN2O2+ and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide
PubChem CID162660567
Molecular FormulaC24H20ClN2O2+
Molecular Weight403.89 g/mol
Exact Mass403.12
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(Cl)cc4)cc3)ccc2c1
InChIInChI=1S/C24H19ClN2O2/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/p+1
InChIKeyFLEWQQQRXKTJHE-UHFFFAOYSA-O
XLogP5.09
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 55.09
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-fluorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide chloride
CID 162671228
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-(1-benzylpyridin-1-ium-4-yl)-3,4-difluorobenzamide
CID 162674646
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
CID 112984117
N-[2-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]ethyl]-6-methoxynaphthalene-2-carboxamide bromide
CID 162645266
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide (CID 162660567) is N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide is COc1ccc2cc(C(=O)Nc3cc[n+](Cc4ccc(Cl)cc4)cc3)ccc2c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide?
The InChIKey is FLEWQQQRXKTJHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H19ClN2O2/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/p+1.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]-6-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 162660567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).