N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide

C16H19N3O2 — CID 62830929

IUPACN-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCN)cc2)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-11-3-8-15(12(2)18-11)16(20)19-13-4-6-14(7-5-13)21-10-9-17/h3-8H,9-10,17H2,1-2H3,(H,19,20)
InChIKeyRPLXOHZJEJTNPQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds5

About N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide

N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830929) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830929
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCN)cc2)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-11-3-8-15(12(2)18-11)16(20)19-13-4-6-14(7-5-13)21-10-9-17/h3-8H,9-10,17H2,1-2H3,(H,19,20)
InChIKeyRPLXOHZJEJTNPQ-UHFFFAOYSA-N
XLogP2.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
2-amino-N-(4-butoxyphenyl)-6-methylpyridine-3-carboxamide
CID 83577781
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
N-[4-(3-aminoprop-1-ynyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62828528
N-[4-(2-aminoethoxy)phenyl]-2-hydroxy-4-methylbenzamide
CID 43369291
N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
CID 43369278
N-[4-(2-aminoethoxy)phenyl]pyridine-4-carboxamide
CID 43175490
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
methyl N-[4-(2-aminoethoxy)phenyl]carbamodithioate;hydrochloride
CID 23146063
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
1-[4-(2-aminoethoxy)phenyl]-3-propylurea
CID 43175658
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide (CID 62830929) is N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(OCCN)cc2)c(C)n1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is RPLXOHZJEJTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-3-8-15(12(2)18-11)16(20)19-13-4-6-14(7-5-13)21-10-9-17/h3-8H,9-10,17H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide?
N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).