6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H17N7O2 — CID 165415337

IUPAC6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1conc1-c1ccccn1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H17N7O2/c29-21(27-18-11-30-28-19(18)16-3-1-2-8-24-16)20-17(25-14-9-22-12-23-10-14)7-6-15(26-20)13-4-5-13/h1-3,6-13,25H,4-5H2,(H,27,29)
InChIKeyDKXXYIIVBBCSKZ-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.79
Rot. Bonds6

About 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415337) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415337
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1conc1-c1ccccn1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H17N7O2/c29-21(27-18-11-30-28-19(18)16-3-1-2-8-24-16)20-17(25-14-9-22-12-23-10-14)7-6-15(26-20)13-4-5-13/h1-3,6-13,25H,4-5H2,(H,27,29)
InChIKeyDKXXYIIVBBCSKZ-UHFFFAOYSA-N
XLogP3.79
TPSA118.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415337) is 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1conc1-c1ccccn1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is DKXXYIIVBBCSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c29-21(27-18-11-30-28-19(18)16-3-1-2-8-24-16)20-17(25-14-9-22-12-23-10-14)7-6-15(26-20)13-4-5-13/h1-3,6-13,25H,4-5H2,(H,27,29).
What are the key properties of 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).