3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide

C24H22N6O2 — CID 59374192

IUPAC3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H22N6O2/c1-17(16-19-6-2-4-12-25-19)29-23(31)22-24(28-15-14-27-22)32-20-10-8-18(9-11-20)30-21-7-3-5-13-26-21/h2-15,17H,16H2,1H3,(H,26,30)(H,29,31)
InChIKeyONWAXLHYHNNLHF-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.16
Rot. Bonds8

About 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide

3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 59374192) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide
PubChem CID59374192
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C24H22N6O2/c1-17(16-19-6-2-4-12-25-19)29-23(31)22-24(28-15-14-27-22)32-20-10-8-18(9-11-20)30-21-7-3-5-13-26-21/h2-15,17H,16H2,1H3,(H,26,30)(H,29,31)
InChIKeyONWAXLHYHNNLHF-UHFFFAOYSA-N
XLogP4.16
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide (CID 59374192) is 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide is CC(Cc1ccccn1)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide?
The InChIKey is ONWAXLHYHNNLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-17(16-19-6-2-4-12-25-19)29-23(31)22-24(28-15-14-27-22)32-20-10-8-18(9-11-20)30-21-7-3-5-13-26-21/h2-15,17H,16H2,1H3,(H,26,30)(H,29,31).
What are the key properties of 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide?
3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-2-ylamino)phenoxy]-N-(1-pyridin-2-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 59374192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).