3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide

C15H16ClN3O2 — CID 104741559

IUPAC3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ncccc1N
InChIInChI=1S/C15H16ClN3O2/c1-19(15(20)14-12(17)6-4-8-18-14)9-10-21-13-7-3-2-5-11(13)16/h2-8H,9-10,17H2,1H3
InChIKeyZUXCSKWYDSFOST-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 104741559) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID104741559
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1ncccc1N
InChIInChI=1S/C15H16ClN3O2/c1-19(15(20)14-12(17)6-4-8-18-14)9-10-21-13-7-3-2-5-11(13)16/h2-8H,9-10,17H2,1H3
InChIKeyZUXCSKWYDSFOST-UHFFFAOYSA-N
XLogP2.47
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide (CID 104741559) is 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide is CN(CCOc1ccccc1Cl)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZUXCSKWYDSFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(15(20)14-12(17)6-4-8-18-14)9-10-21-13-7-3-2-5-11(13)16/h2-8H,9-10,17H2,1H3.
What are the key properties of 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide?
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104741559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).