5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide

C21H27FN4O3 — CID 90203690

IUPAC5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCc1nc(C(C)(CC2CC2)NC(=O)c2cc(OC(C)CF)c(C3CC3)cn2)no1
InChIInChI=1S/C21H27FN4O3/c1-12(10-22)28-18-8-17(23-11-16(18)15-6-7-15)19(27)25-21(3,9-14-4-5-14)20-24-13(2)29-26-20/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,25,27)
InChIKeyAQBSFPKMGMIOKK-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.83
Rot. Bonds9

About 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide

5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide (PubChem CID 90203690) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
PubChem CID90203690
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC Name5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide
SMILESCc1nc(C(C)(CC2CC2)NC(=O)c2cc(OC(C)CF)c(C3CC3)cn2)no1
InChIInChI=1S/C21H27FN4O3/c1-12(10-22)28-18-8-17(23-11-16(18)15-6-7-15)19(27)25-21(3,9-14-4-5-14)20-24-13(2)29-26-20/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,25,27)
InChIKeyAQBSFPKMGMIOKK-UHFFFAOYSA-N
XLogP3.83
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide (CID 90203690) is 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide is Cc1nc(C(C)(CC2CC2)NC(=O)c2cc(OC(C)CF)c(C3CC3)cn2)no1.
What is the InChIKey of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
The InChIKey is AQBSFPKMGMIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-12(10-22)28-18-8-17(23-11-16(18)15-6-7-15)19(27)25-21(3,9-14-4-5-14)20-24-13(2)29-26-20/h8,11-12,14-15H,4-7,9-10H2,1-3H3,(H,25,27).
What are the key properties of 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(1-fluoropropan-2-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 90203690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).