N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C21H20N4O2 — CID 59374205

IUPACN-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESC=C(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(2)14-24-20(26)18-6-5-13-23-21(18)27-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19/h3-13H,1,14H2,2H3,(H,22,25)(H,24,26)
InChIKeySOZOLRQEVFWUBN-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.32
Rot. Bonds7

About N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374205) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374205
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESC=C(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H20N4O2/c1-15(2)14-24-20(26)18-6-5-13-23-21(18)27-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19/h3-13H,1,14H2,2H3,(H,22,25)(H,24,26)
InChIKeySOZOLRQEVFWUBN-UHFFFAOYSA-N
XLogP4.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374205) is N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is C=C(C)CNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is SOZOLRQEVFWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(2)14-24-20(26)18-6-5-13-23-21(18)27-17-10-8-16(9-11-17)25-19-7-3-4-12-22-19/h3-13H,1,14H2,2H3,(H,22,25)(H,24,26).
What are the key properties of N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).