5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide

C20H19FN6O3 — CID 166333203

IUPAC5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide
SMILESCC1(NC(=O)c2ncc(F)cn2)CCN(C(=O)c2cc(-c3cccnc3)no2)CC1
InChIInChI=1S/C20H19FN6O3/c1-20(25-18(28)17-23-11-14(21)12-24-17)4-7-27(8-5-20)19(29)16-9-15(26-30-16)13-3-2-6-22-10-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,25,28)
InChIKeyGNJHIIVDTALQNP-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.09
Rot. Bonds4

About 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide

5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide (PubChem CID 166333203) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide
PubChem CID166333203
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide
SMILESCC1(NC(=O)c2ncc(F)cn2)CCN(C(=O)c2cc(-c3cccnc3)no2)CC1
InChIInChI=1S/C20H19FN6O3/c1-20(25-18(28)17-23-11-14(21)12-24-17)4-7-27(8-5-20)19(29)16-9-15(26-30-16)13-3-2-6-22-10-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,25,28)
InChIKeyGNJHIIVDTALQNP-UHFFFAOYSA-N
XLogP2.09
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide (CID 166333203) is 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide is CC1(NC(=O)c2ncc(F)cn2)CCN(C(=O)c2cc(-c3cccnc3)no2)CC1.
What is the InChIKey of 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide?
The InChIKey is GNJHIIVDTALQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c1-20(25-18(28)17-23-11-14(21)12-24-17)4-7-27(8-5-20)19(29)16-9-15(26-30-16)13-3-2-6-22-10-13/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,25,28).
What are the key properties of 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide?
5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 166333203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).