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

C21H26N4O3 — CID 71105637

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc([C@H](CC2CC2)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1
InChIInChI=1S/C21H26N4O3/c1-12-22-19(25-28-12)18(10-13-2-3-13)23-20(26)17-9-8-16(15-6-7-15)21(24-17)27-11-14-4-5-14/h8-9,13-15,18H,2-7,10-11H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyPOHPCLNOLRUEFE-SFHVURJKSA-N
MW382.46 g/mol
LogP3.71
Rot. Bonds9

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

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 71105637) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID71105637
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc([C@H](CC2CC2)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1
InChIInChI=1S/C21H26N4O3/c1-12-22-19(25-28-12)18(10-13-2-3-13)23-20(26)17-9-8-16(15-6-7-15)21(24-17)27-11-14-4-5-14/h8-9,13-15,18H,2-7,10-11H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyPOHPCLNOLRUEFE-SFHVURJKSA-N
XLogP3.71
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.71
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)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (CID 71105637) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-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)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is Cc1nc([C@H](CC2CC2)NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)no1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is POHPCLNOLRUEFE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-22-19(25-28-12)18(10-13-2-3-13)23-20(26)17-9-8-16(15-6-7-15)21(24-17)27-11-14-4-5-14/h8-9,13-15,18H,2-7,10-11H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1S)-2-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 3.71, 9 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)-2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).