N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide

C15H17N3O — CID 62831116

IUPACN-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)c2ccccc2N)c(C)n1
InChIInChI=1S/C15H17N3O/c1-10-8-9-12(11(2)17-10)15(19)18(3)14-7-5-4-6-13(14)16/h4-9H,16H2,1-3H3
InChIKeyWOYLMQFWLBOKHT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.56
Rot. Bonds2

About N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide

N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide (PubChem CID 62831116) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide
PubChem CID62831116
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)c2ccccc2N)c(C)n1
InChIInChI=1S/C15H17N3O/c1-10-8-9-12(11(2)17-10)15(19)18(3)14-7-5-4-6-13(14)16/h4-9H,16H2,1-3H3
InChIKeyWOYLMQFWLBOKHT-UHFFFAOYSA-N
XLogP2.56
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide (CID 62831116) is N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)c2ccccc2N)c(C)n1.
What is the InChIKey of N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide?
The InChIKey is WOYLMQFWLBOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-9-12(11(2)17-10)15(19)18(3)14-7-5-4-6-13(14)16/h4-9H,16H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide?
N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N,2,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 62831116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).