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

C22H18N6O2 — CID 53329532

IUPAC6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H18N6O2/c29-22(27-20-10-19(28-30-20)14-4-2-1-3-5-14)21-18(25-16-11-23-13-24-12-16)9-8-17(26-21)15-6-7-15/h1-5,8-13,15,25H,6-7H2,(H,27,29)
InChIKeyQAKXXHRGFHPJGF-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.40
Rot. Bonds6

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

6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329532) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329532
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H18N6O2/c29-22(27-20-10-19(28-30-20)14-4-2-1-3-5-14)21-18(25-16-11-23-13-24-12-16)9-8-17(26-21)15-6-7-15/h1-5,8-13,15,25H,6-7H2,(H,27,29)
InChIKeyQAKXXHRGFHPJGF-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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Related Compounds

N-[(3S,4S)-1-(Cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 139360137
6-cyclopropyl-N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329710
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329882
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678076
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678177
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329881
6-cyclopropyl-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329883
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329532) is 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is QAKXXHRGFHPJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-22(27-20-10-19(28-30-20)14-4-2-1-3-5-14)21-18(25-16-11-23-13-24-12-16)9-8-17(26-21)15-6-7-15/h1-5,8-13,15,25H,6-7H2,(H,27,29).
What are the key properties of 6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(3-phenyl-1,2-oxazol-5-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-(3-phenyl-1,2-oxazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).