N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide

C18H20N6O3 — CID 134177542

IUPACN-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1
InChIInChI=1S/C18H20N6O3/c25-15(13-7-19-12-20-8-13)23-17-21-9-14(10-22-17)16(26)24-4-1-18(11-24)2-5-27-6-3-18/h7-10,12H,1-6,11H2,(H,21,22,23,25)
InChIKeyYGOSCHURBOGNKV-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.16
Rot. Bonds3

About N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide

N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 134177542) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide
PubChem CID134177542
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC NameN-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1
InChIInChI=1S/C18H20N6O3/c25-15(13-7-19-12-20-8-13)23-17-21-9-14(10-22-17)16(26)24-4-1-18(11-24)2-5-27-6-3-18/h7-10,12H,1-6,11H2,(H,21,22,23,25)
InChIKeyYGOSCHURBOGNKV-UHFFFAOYSA-N
XLogP1.16
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide (CID 134177542) is N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide is O=C(Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cncnc1.
What is the InChIKey of N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is YGOSCHURBOGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-15(13-7-19-12-20-8-13)23-17-21-9-14(10-22-17)16(26)24-4-1-18(11-24)2-5-27-6-3-18/h7-10,12H,1-6,11H2,(H,21,22,23,25).
What are the key properties of N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide?
N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrimidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 134177542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).