4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen

C24H22N8O2 — CID 162177517

IUPAC4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen
SMILESCCc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(N)=O)c4)c3)nc(N)n2)cc1.N#N
InChIInChI=1S/C24H22N6O2.N2/c1-2-15-6-8-16(9-7-15)20-14-22(30-24(26)29-20)28-17-4-3-5-18(12-17)32-19-10-11-27-21(13-19)23(25)31;1-2/h3-14H,2H2,1H3,(H2,25,31)(H3,26,28,29,30);
InChIKeyZOOSTONSASEMRE-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.35
Rot. Bonds7

About 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen

4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen (PubChem CID 162177517) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen.

Molecular Properties

Compound Name4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen
PubChem CID162177517
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen
SMILESCCc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(N)=O)c4)c3)nc(N)n2)cc1.N#N
InChIInChI=1S/C24H22N6O2.N2/c1-2-15-6-8-16(9-7-15)20-14-22(30-24(26)29-20)28-17-4-3-5-18(12-17)32-19-10-11-27-21(13-19)23(25)31;1-2/h3-14H,2H2,1H3,(H2,25,31)(H3,26,28,29,30);
InChIKeyZOOSTONSASEMRE-UHFFFAOYSA-N
XLogP4.35
TPSA176.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen?
The IUPAC name of 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen (CID 162177517) is 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen.
What is the SMILES notation for 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen?
The canonical SMILES for 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen is CCc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(N)=O)c4)c3)nc(N)n2)cc1.N#N.
What is the InChIKey of 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen?
The InChIKey is ZOOSTONSASEMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.N2/c1-2-15-6-8-16(9-7-15)20-14-22(30-24(26)29-20)28-17-4-3-5-18(12-17)32-19-10-11-27-21(13-19)23(25)31;1-2/h3-14H,2H2,1H3,(H2,25,31)(H3,26,28,29,30);.
What are the key properties of 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen?
4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen has a molecular weight of 454.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen is sourced from PubChem (CID 162177517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).