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

C20H22N4O3 — CID 134424121

IUPACN-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCc1nc([C@H](NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2=CC2)no1
InChIInChI=1S/C20H22N4O3/c1-11-21-18(24-27-11)17(14-6-7-14)23-19(25)16-9-8-15(13-4-5-13)20(22-16)26-10-12-2-3-12/h6,8-9,12-13,17H,2-5,7,10H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyUZWBGXXBVKDYER-QGZVFWFLSA-N
MW366.42 g/mol
LogP3.24
Rot. Bonds8

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

N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 134424121) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID134424121
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCc1nc([C@H](NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2=CC2)no1
InChIInChI=1S/C20H22N4O3/c1-11-21-18(24-27-11)17(14-6-7-14)23-19(25)16-9-8-15(13-4-5-13)20(22-16)26-10-12-2-3-12/h6,8-9,12-13,17H,2-5,7,10H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyUZWBGXXBVKDYER-QGZVFWFLSA-N
XLogP3.24
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 134424121) is N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is Cc1nc([C@H](NC(=O)c2ccc(C3CC3)c(OCC3CC3)n2)C2=CC2)no1.
What is the InChIKey of N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is UZWBGXXBVKDYER-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11-21-18(24-27-11)17(14-6-7-14)23-19(25)16-9-8-15(13-4-5-13)20(22-16)26-10-12-2-3-12/h6,8-9,12-13,17H,2-5,7,10H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 134424121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).