N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

C17H22N4O3 — CID 131686364

IUPACN-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESCOc1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)nc1
InChIInChI=1S/C17H22N4O3/c1-24-13-8-18-14(19-9-13)16(23)21-5-4-17(10-21)6-12(7-17)20-15(22)11-2-3-11/h8-9,11-12H,2-7,10H2,1H3,(H,20,22)
InChIKeyLAXFBGSFNRYCHH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.01
Rot. Bonds4

About N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide

N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (PubChem CID 131686364) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
PubChem CID131686364
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
SMILESCOc1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)nc1
InChIInChI=1S/C17H22N4O3/c1-24-13-8-18-14(19-9-13)16(23)21-5-4-17(10-21)6-12(7-17)20-15(22)11-2-3-11/h8-9,11-12H,2-7,10H2,1H3,(H,20,22)
InChIKeyLAXFBGSFNRYCHH-UHFFFAOYSA-N
XLogP1.01
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide (CID 131686364) is N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is COc1cnc(C(=O)N2CCC3(CC(NC(=O)C4CC4)C3)C2)nc1.
What is the InChIKey of N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
The InChIKey is LAXFBGSFNRYCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-24-13-8-18-14(19-9-13)16(23)21-5-4-17(10-21)6-12(7-17)20-15(22)11-2-3-11/h8-9,11-12H,2-7,10H2,1H3,(H,20,22).
What are the key properties of N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide?
N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methoxypyrimidine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131686364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).