N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide

C22H26N6O3 — CID 71112581

IUPACN-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)c1noc(N2CCC(N(C(=O)c3ccc(-c4cnco4)nc3)C3CC3)CC2)n1
InChIInChI=1S/C22H26N6O3/c1-14(2)20-25-22(31-26-20)27-9-7-17(8-10-27)28(16-4-5-16)21(29)15-3-6-18(24-11-15)19-12-23-13-30-19/h3,6,11-14,16-17H,4-5,7-10H2,1-2H3
InChIKeyJAIBPCWIQJXTJL-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.52
Rot. Bonds6

About N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide

N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 71112581) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID71112581
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC NameN-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCC(C)c1noc(N2CCC(N(C(=O)c3ccc(-c4cnco4)nc3)C3CC3)CC2)n1
InChIInChI=1S/C22H26N6O3/c1-14(2)20-25-22(31-26-20)27-9-7-17(8-10-27)28(16-4-5-16)21(29)15-3-6-18(24-11-15)19-12-23-13-30-19/h3,6,11-14,16-17H,4-5,7-10H2,1-2H3
InChIKeyJAIBPCWIQJXTJL-UHFFFAOYSA-N
XLogP3.52
TPSA101.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 71112581) is N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide is CC(C)c1noc(N2CCC(N(C(=O)c3ccc(-c4cnco4)nc3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JAIBPCWIQJXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-14(2)20-25-22(31-26-20)27-9-7-17(8-10-27)28(16-4-5-16)21(29)15-3-6-18(24-11-15)19-12-23-13-30-19/h3,6,11-14,16-17H,4-5,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(1,3-oxazol-5-yl)-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71112581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).