N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide

C13H13N3O2 — CID 90839131

IUPACN-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
SMILESCN(Oc1ccc(N)cc1)C(=O)c1ccccn1
InChIInChI=1S/C13H13N3O2/c1-16(13(17)12-4-2-3-9-15-12)18-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3
InChIKeyCLLCUHBKZWSHQJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.73
Rot. Bonds3

About N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide

N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide (PubChem CID 90839131) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
PubChem CID90839131
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
SMILESCN(Oc1ccc(N)cc1)C(=O)c1ccccn1
InChIInChI=1S/C13H13N3O2/c1-16(13(17)12-4-2-3-9-15-12)18-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3
InChIKeyCLLCUHBKZWSHQJ-UHFFFAOYSA-N
XLogP1.73
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methylpyridine-2-carbohydrazide
CID 45084309
N-(4-methoxyphenyl)pyridine-2-carbohydrazide
CID 91595717
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-(fluoromethyl)-N-phenoxypyridine-2-carboxamide
CID 141171449
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 126857014
N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3742330
(Z)-2-amino-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 70332424
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide (CID 90839131) is N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide is CN(Oc1ccc(N)cc1)C(=O)c1ccccn1.
What is the InChIKey of N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide?
The InChIKey is CLLCUHBKZWSHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(13(17)12-4-2-3-9-15-12)18-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3.
What are the key properties of N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide?
N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenoxy)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 90839131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).