5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide

C13H12ClN3O2 — CID 114090632

IUPAC5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Oc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H12ClN3O2/c1-7-4-8(14)2-3-11(7)19-12-5-9(13(16)18)10(15)6-17-12/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyIYXZYSHWRRFRFM-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.52
Rot. Bonds3

About 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide

5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide (PubChem CID 114090632) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
PubChem CID114090632
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Oc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H12ClN3O2/c1-7-4-8(14)2-3-11(7)19-12-5-9(13(16)18)10(15)6-17-12/h2-6H,15H2,1H3,(H2,16,18)
InChIKeyIYXZYSHWRRFRFM-UHFFFAOYSA-N
XLogP2.52
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(4-chloro-2-fluorophenoxy)pyridine-4-carboxamide
CID 114267919
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
4-amino-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
5-amino-2-(4-methoxyphenoxy)pyridine-4-carboxamide
CID 114090626
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530
5-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 114090771
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
5-(4-chloro-2-methylphenoxy)pyridine-2-carbothioamide
CID 113321034
6-(4-tert-butyl-2-methylphenoxy)-4-methylpyridin-3-amine
CID 79175695
3-(4-chloro-2-methylphenoxy)pyridine-4-carboxylic acid
CID 114288885
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide (CID 114090632) is 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide is Cc1cc(Cl)ccc1Oc1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide?
The InChIKey is IYXZYSHWRRFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-4-8(14)2-3-11(7)19-12-5-9(13(16)18)10(15)6-17-12/h2-6H,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide?
5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 114090632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).