4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide

C14H14ClN3O2 — CID 62113277

IUPAC4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(N)c(Cl)c2)ccn1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)14(19)13-8-10(5-6-17-13)20-9-3-4-12(16)11(15)7-9/h3-8H,16H2,1-2H3
InChIKeyLLZINXOHVQJOGK-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.81
Rot. Bonds3

About 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide

4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 62113277) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
PubChem CID62113277
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(N)c(Cl)c2)ccn1
InChIInChI=1S/C14H14ClN3O2/c1-18(2)14(19)13-8-10(5-6-17-13)20-9-3-4-12(16)11(15)7-9/h3-8H,16H2,1-2H3
InChIKeyLLZINXOHVQJOGK-UHFFFAOYSA-N
XLogP2.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 43395714
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
CID 118138252
4-(4-amino-3-chlorophenoxy)pyridin-2-amine
CID 22936798
4-amino-3-chlorophenol;4-(4-amino-3-chlorophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methane
CID 159234569
4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 61388592
4-amino-N,N-dimethylpyridine-2-carboxamide;hydrochloride
CID 167725414
3-[3,5-dichloro-4-[[2-(dimethylcarbamoyl)-4-pyridinyl]oxy]anilino]propanoic acid
CID 155591642
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
CID 91052781
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623
4-[4-[[[4-chloro-3-(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-3-methylphenoxy]-N,N-dimethylpyridine-2-carboxamide
CID 118919151
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide (CID 62113277) is 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc(N)c(Cl)c2)ccn1.
What is the InChIKey of 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is LLZINXOHVQJOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(2)14(19)13-8-10(5-6-17-13)20-9-3-4-12(16)11(15)7-9/h3-8H,16H2,1-2H3.
What are the key properties of 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide?
4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 62113277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).