N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H26N4O3 — CID 126465272

IUPACN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C24H26N4O3/c1-16-21(26-31-25-16)15-27(2)23(30)20-14-24(20)9-11-28(12-10-24)22(29)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3
InChIKeyNCVZGOSREUPYCN-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.43
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126465272) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126465272
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1ccc3ccccc3c1)CC2
InChIInChI=1S/C24H26N4O3/c1-16-21(26-31-25-16)15-27(2)23(30)20-14-24(20)9-11-28(12-10-24)22(29)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3
InChIKeyNCVZGOSREUPYCN-UHFFFAOYSA-N
XLogP3.43
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126465272) is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1nonc1CN(C)C(=O)C1CC12CCN(C(=O)c1ccc3ccccc3c1)CC2.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NCVZGOSREUPYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-21(26-31-25-16)15-27(2)23(30)20-14-24(20)9-11-28(12-10-24)22(29)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-(naphthalene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126465272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).