N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide

C16H19N3O — CID 43458715

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1cccc(C)n1
InChIInChI=1S/C16H19N3O/c1-3-19(11-13-7-9-14(17)10-8-13)16(20)15-6-4-5-12(2)18-15/h4-10H,3,11,17H2,1-2H3
InChIKeyUCTMGIQAMVPLBT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide

N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide (PubChem CID 43458715) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
PubChem CID43458715
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1cccc(C)n1
InChIInChI=1S/C16H19N3O/c1-3-19(11-13-7-9-14(17)10-8-13)16(20)15-6-4-5-12(2)18-15/h4-10H,3,11,17H2,1-2H3
InChIKeyUCTMGIQAMVPLBT-UHFFFAOYSA-N
XLogP2.63
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
6-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carboxamide
CID 64588400
N-(3-aminopropyl)-6-methyl-N-propylpyridine-2-carboxamide
CID 43136568
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
6-methyl-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 78848576

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide (CID 43458715) is N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide is CCN(Cc1ccc(N)cc1)C(=O)c1cccc(C)n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide?
The InChIKey is UCTMGIQAMVPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-19(11-13-7-9-14(17)10-8-13)16(20)15-6-4-5-12(2)18-15/h4-10H,3,11,17H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide?
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 43458715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).