4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide

C15H14N4O2 — CID 82795312

IUPAC4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1nccc(C#N)c1N
InChIInChI=1S/C15H14N4O2/c1-8-5-11(14(18)20)6-9(2)13(8)21-15-12(17)10(7-16)3-4-19-15/h3-6H,17H2,1-2H3,(H2,18,20)
InChIKeyRQXZQZXDJORCCU-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.04
Rot. Bonds3

About 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide

4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide (PubChem CID 82795312) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
PubChem CID82795312
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1nccc(C#N)c1N
InChIInChI=1S/C15H14N4O2/c1-8-5-11(14(18)20)6-9(2)13(8)21-15-12(17)10(7-16)3-4-19-15/h3-6H,17H2,1-2H3,(H2,18,20)
InChIKeyRQXZQZXDJORCCU-UHFFFAOYSA-N
XLogP2.04
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-4-methyl-2-pyridinyl)oxy]-5-methoxybenzamide
CID 103566450
4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
CID 65455621
3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
CID 82812987
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 115474547
4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
CID 65455237
2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 67697104
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 83269691
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
4-(3-aminophenoxy)-3,5-dimethylbenzamide
CID 80751978
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
2-[4-(aminomethyl)-2,6-dimethylphenoxy]pyridine-3-carboxamide
CID 65471386

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The IUPAC name of 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide (CID 82795312) is 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1Oc1nccc(C#N)c1N.
What is the InChIKey of 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The InChIKey is RQXZQZXDJORCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-8-5-11(14(18)20)6-9(2)13(8)21-15-12(17)10(7-16)3-4-19-15/h3-6H,17H2,1-2H3,(H2,18,20).
What are the key properties of 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide is sourced from PubChem (CID 82795312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).