N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

C25H31N5O3 — CID 16660111

IUPACN-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1nc(-c3cncnc3)ccc12
InChIInChI=1S/C25H31N5O3/c1-29(13-14-30-11-3-2-4-12-30)23(31)18-7-9-25(10-8-18)20-5-6-21(19-15-26-17-27-16-19)28-22(20)24(32)33-25/h5-6,15-18H,2-4,7-14H2,1H3
InChIKeyMMULSWLOISFBRZ-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.04
Rot. Bonds5

About N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (PubChem CID 16660111) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
PubChem CID16660111
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1nc(-c3cncnc3)ccc12
InChIInChI=1S/C25H31N5O3/c1-29(13-14-30-11-3-2-4-12-30)23(31)18-7-9-25(10-8-18)20-5-6-21(19-15-26-17-27-16-19)28-22(20)24(32)33-25/h5-6,15-18H,2-4,7-14H2,1H3
InChIKeyMMULSWLOISFBRZ-UHFFFAOYSA-N
XLogP3.04
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The IUPAC name of N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (CID 16660111) is N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.
What is the SMILES notation for N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The canonical SMILES for N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is CN(CCN1CCCCC1)C(=O)C1CCC2(CC1)OC(=O)c1nc(-c3cncnc3)ccc12.
What is the InChIKey of N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The InChIKey is MMULSWLOISFBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-29(13-14-30-11-3-2-4-12-30)23(31)18-7-9-25(10-8-18)20-5-6-21(19-15-26-17-27-16-19)28-22(20)24(32)33-25/h5-6,15-18H,2-4,7-14H2,1H3.
What are the key properties of N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7'-oxo-N-(2-piperidin-1-ylethyl)-2'-pyrimidin-5-ylspiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is sourced from PubChem (CID 16660111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).