4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide

C15H14N4O2 — CID 61388592

IUPAC4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(N)cc2C#N)ccn1
InChIInChI=1S/C15H14N4O2/c1-19(2)15(20)13-8-12(5-6-18-13)21-14-4-3-11(17)7-10(14)9-16/h3-8H,17H2,1-2H3
InChIKeyIYSJQIAQPYVGBI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.03
Rot. Bonds3

About 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide

4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 61388592) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide
PubChem CID61388592
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc(N)cc2C#N)ccn1
InChIInChI=1S/C15H14N4O2/c1-19(2)15(20)13-8-12(5-6-18-13)21-14-4-3-11(17)7-10(14)9-16/h3-8H,17H2,1-2H3
InChIKeyIYSJQIAQPYVGBI-UHFFFAOYSA-N
XLogP2.03
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethylpyridine-2-carboxamide;hydrochloride
CID 167725414
4-(4-amino-3-chlorophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 62113277
4-(4-bromophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 43395714
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 62074114
5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
CID 83062806
[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
CID 69333705
1-(4-amino-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780550
4-(4-amino-2-chlorophenoxy)-N-ethylpyridine-2-carboxamide
CID 43517931
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
N,N-dimethyl-4-[3-(methylaminomethyl)phenoxy]pyridine-2-carboxamide
CID 106486623
4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide
CID 61370610
5-amino-2-pyridin-2-yloxybenzonitrile
CID 61388646

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide (CID 61388592) is 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc(N)cc2C#N)ccn1.
What is the InChIKey of 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is IYSJQIAQPYVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19(2)15(20)13-8-12(5-6-18-13)21-14-4-3-11(17)7-10(14)9-16/h3-8H,17H2,1-2H3.
What are the key properties of 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide?
4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 61388592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).