N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

C17H24N4O — CID 118739204

IUPACN-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cnc(N2CCC3(CC2)CC3C(=O)NCC2CC2)nc1
InChIInChI=1S/C17H24N4O/c1-12-9-19-16(20-10-12)21-6-4-17(5-7-21)8-14(17)15(22)18-11-13-2-3-13/h9-10,13-14H,2-8,11H2,1H3,(H,18,22)
InChIKeyGPGKMILYYVNPDN-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.92
Rot. Bonds4

About N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 118739204) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID118739204
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cnc(N2CCC3(CC2)CC3C(=O)NCC2CC2)nc1
InChIInChI=1S/C17H24N4O/c1-12-9-19-16(20-10-12)21-6-4-17(5-7-21)8-14(17)15(22)18-11-13-2-3-13/h9-10,13-14H,2-8,11H2,1H3,(H,18,22)
InChIKeyGPGKMILYYVNPDN-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (CID 118739204) is N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cnc(N2CCC3(CC2)CC3C(=O)NCC2CC2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is GPGKMILYYVNPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-9-19-16(20-10-12)21-6-4-17(5-7-21)8-14(17)15(22)18-11-13-2-3-13/h9-10,13-14H,2-8,11H2,1H3,(H,18,22).
What are the key properties of N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?
N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(5-methylpyrimidin-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 118739204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).