N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide

C16H19N3O — CID 62829021

IUPACN-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2N)c(C)n1
InChIInChI=1S/C16H19N3O/c1-10-8-9-14(12(3)18-10)16(20)19-11(2)13-6-4-5-7-15(13)17/h4-9,11H,17H2,1-3H3,(H,19,20)
InChIKeyLMZBONLGCAUJGV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide

N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62829021) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62829021
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2N)c(C)n1
InChIInChI=1S/C16H19N3O/c1-10-8-9-14(12(3)18-10)16(20)19-11(2)13-6-4-5-7-15(13)17/h4-9,11H,17H2,1-3H3,(H,19,20)
InChIKeyLMZBONLGCAUJGV-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368
N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 43297866
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 43297787

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide (CID 62829021) is N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)c2ccccc2N)c(C)n1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is LMZBONLGCAUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-8-9-14(12(3)18-10)16(20)19-11(2)13-6-4-5-7-15(13)17/h4-9,11H,17H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide?
N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62829021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).