N-methyl-N-phenylpyridin-1-ium-1-carboxamide

C13H13N2O+ — CID 11747011

IUPACN-methyl-N-phenylpyridin-1-ium-1-carboxamide
SMILESCN(C(=O)[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2O/c1-14(12-8-4-2-5-9-12)13(16)15-10-6-3-7-11-15/h2-11H,1H3/q+1
InChIKeySIVVXPGKFMSBQT-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.08
Rot. Bonds1

About N-methyl-N-phenylpyridin-1-ium-1-carboxamide

N-methyl-N-phenylpyridin-1-ium-1-carboxamide (PubChem CID 11747011) has the molecular formula C13H13N2O+ and a molecular weight of 213.26 g/mol. Its IUPAC name is N-methyl-N-phenylpyridin-1-ium-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenylpyridin-1-ium-1-carboxamide
PubChem CID11747011
Molecular FormulaC13H13N2O+
Molecular Weight213.26 g/mol
Exact Mass213.10
IUPAC NameN-methyl-N-phenylpyridin-1-ium-1-carboxamide
SMILESCN(C(=O)[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2O/c1-14(12-8-4-2-5-9-12)13(16)15-10-6-3-7-11-15/h2-11H,1H3/q+1
InChIKeySIVVXPGKFMSBQT-UHFFFAOYSA-N
XLogP2.08
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N,N-diphenylpyridin-1-ium-1-carboxamide
CID 5230750
N,N-dimethylpyridin-1-ium-1-carboxamide chloride
CID 14274036
4-benzyl-N-methyl-N-(4-nitrophenyl)pyridin-1-ium-1-carboxamide
CID 10927096
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
CID 121485750
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
(1-methylpyridin-1-ium-4-yl) N-methyl-N-phenylcarbamate
CID 10022032
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
1,3-dimethyl-1,3-diphenylselenourea
CID 12787621
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylpyridin-1-ium-1-carboxamide?
The IUPAC name of N-methyl-N-phenylpyridin-1-ium-1-carboxamide (CID 11747011) is N-methyl-N-phenylpyridin-1-ium-1-carboxamide.
What is the SMILES notation for N-methyl-N-phenylpyridin-1-ium-1-carboxamide?
The canonical SMILES for N-methyl-N-phenylpyridin-1-ium-1-carboxamide is CN(C(=O)[n+]1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylpyridin-1-ium-1-carboxamide?
The InChIKey is SIVVXPGKFMSBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O/c1-14(12-8-4-2-5-9-12)13(16)15-10-6-3-7-11-15/h2-11H,1H3/q+1.
What are the key properties of N-methyl-N-phenylpyridin-1-ium-1-carboxamide?
N-methyl-N-phenylpyridin-1-ium-1-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylpyridin-1-ium-1-carboxamide is sourced from PubChem (CID 11747011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).