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

C22H18N6O2 — CID 165415120

IUPAC6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnoc1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H18N6O2/c29-22(28-19-12-25-30-21(19)15-4-2-1-3-5-15)20-18(26-16-10-23-13-24-11-16)9-8-17(27-20)14-6-7-14/h1-5,8-14,26H,6-7H2,(H,28,29)
InChIKeyHKPKTYSZWCAAER-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.40
Rot. Bonds6

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

6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415120) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415120
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnoc1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H18N6O2/c29-22(28-19-12-25-30-21(19)15-4-2-1-3-5-15)20-18(26-16-10-23-13-24-11-16)9-8-17(27-20)14-6-7-14/h1-5,8-14,26H,6-7H2,(H,28,29)
InChIKeyHKPKTYSZWCAAER-UHFFFAOYSA-N
XLogP4.40
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415120) is 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnoc1-c1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is HKPKTYSZWCAAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-22(28-19-12-25-30-21(19)15-4-2-1-3-5-15)20-18(26-16-10-23-13-24-11-16)9-8-17(27-20)14-6-7-14/h1-5,8-14,26H,6-7H2,(H,28,29).
What are the key properties of 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-phenyl-1,2-oxazol-4-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).