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

C22H17ClN6O2 — CID 53329881

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H17ClN6O2/c23-15-5-3-14(4-6-15)19-9-20(31-29-19)28-22(30)21-18(26-16-10-24-12-25-11-16)8-7-17(27-21)13-1-2-13/h3-13,26H,1-2H2,(H,28,30)
InChIKeyZCLWHGBNKFSTKV-UHFFFAOYSA-N
MW432.87 g/mol
LogP5.05
Rot. Bonds6

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

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329881) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329881
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H17ClN6O2/c23-15-5-3-14(4-6-15)19-9-20(31-29-19)28-22(30)21-18(26-16-10-24-12-25-11-16)8-7-17(27-21)13-1-2-13/h3-13,26H,1-2H2,(H,28,30)
InChIKeyZCLWHGBNKFSTKV-UHFFFAOYSA-N
XLogP5.05
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329881) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is ZCLWHGBNKFSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c23-15-5-3-14(4-6-15)19-9-20(31-29-19)28-22(30)21-18(26-16-10-24-12-25-11-16)8-7-17(27-21)13-1-2-13/h3-13,26H,1-2H2,(H,28,30).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).