N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C20H27N3O4 — CID 155876734

IUPACN-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1cccc(C(=O)N2CC(C(=O)NCC3CC3)C3(CCOCC3)C2)c1=O
InChIInChI=1S/C20H27N3O4/c1-22-8-2-3-15(18(22)25)19(26)23-12-16(17(24)21-11-14-4-5-14)20(13-23)6-9-27-10-7-20/h2-3,8,14,16H,4-7,9-13H2,1H3,(H,21,24)
InChIKeyQRAUWGVZXBSBJB-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.78
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155876734) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID155876734
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1cccc(C(=O)N2CC(C(=O)NCC3CC3)C3(CCOCC3)C2)c1=O
InChIInChI=1S/C20H27N3O4/c1-22-8-2-3-15(18(22)25)19(26)23-12-16(17(24)21-11-14-4-5-14)20(13-23)6-9-27-10-7-20/h2-3,8,14,16H,4-7,9-13H2,1H3,(H,21,24)
InChIKeyQRAUWGVZXBSBJB-UHFFFAOYSA-N
XLogP0.78
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 155876734) is N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cn1cccc(C(=O)N2CC(C(=O)NCC3CC3)C3(CCOCC3)C2)c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is QRAUWGVZXBSBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-22-8-2-3-15(18(22)25)19(26)23-12-16(17(24)21-11-14-4-5-14)20(13-23)6-9-27-10-7-20/h2-3,8,14,16H,4-7,9-13H2,1H3,(H,21,24).
What are the key properties of N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155876734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).