5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

C21H26N4O3 — CID 71105707

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C21H26N4O3/c1-12-22-20(25-28-12)21(2,15-7-8-15)24-18(26)17-10-9-16(14-5-6-14)19(23-17)27-11-13-3-4-13/h9-10,13-15H,3-8,11H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyHMZTUFCELKFTQF-NRFANRHFSA-N
MW382.46 g/mol
LogP3.49
Rot. Bonds8

About 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 71105707) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID71105707
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1
InChIInChI=1S/C21H26N4O3/c1-12-22-20(25-28-12)21(2,15-7-8-15)24-18(26)17-10-9-16(14-5-6-14)19(23-17)27-11-13-3-4-13/h9-10,13-15H,3-8,11H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyHMZTUFCELKFTQF-NRFANRHFSA-N
XLogP3.49
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (CID 71105707) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is Cc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2CC2)no1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is HMZTUFCELKFTQF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-22-20(25-28-12)21(2,15-7-8-15)24-18(26)17-10-9-16(14-5-6-14)19(23-17)27-11-13-3-4-13/h9-10,13-15H,3-8,11H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).