N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide

C14H15N2O2+ — CID 1110822

IUPACN-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc[n+](C)cc2)cc1
InChIInChI=1S/C14H14N2O2/c1-16-9-7-11(8-10-16)14(17)15-12-3-5-13(18-2)6-4-12/h3-10H,1-2H3/p+1
InChIKeyRORHLFWIRKSDIS-UHFFFAOYSA-O
MW243.29 g/mol
LogP1.77
Rot. Bonds3

About N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide

N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide (PubChem CID 1110822) has the molecular formula C14H15N2O2+ and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
PubChem CID1110822
Molecular FormulaC14H15N2O2+
Molecular Weight243.29 g/mol
Exact Mass243.11
IUPAC NameN-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc[n+](C)cc2)cc1
InChIInChI=1S/C14H14N2O2/c1-16-9-7-11(8-10-16)14(17)15-12-3-5-13(18-2)6-4-12/h3-10H,1-2H3/p+1
InChIKeyRORHLFWIRKSDIS-UHFFFAOYSA-O
XLogP1.77
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.77
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

methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide (CID 1110822) is N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide is COc1ccc(NC(=O)c2cc[n+](C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide?
The InChIKey is RORHLFWIRKSDIS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N2O2/c1-16-9-7-11(8-10-16)14(17)15-12-3-5-13(18-2)6-4-12/h3-10H,1-2H3/p+1.
What are the key properties of N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide?
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide is sourced from PubChem (CID 1110822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).