N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide

C31H35N5O3 — CID 146267980

IUPACN-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCC3)C2=O)ccc1Oc1ccnc(-c2ccc(C3CCN(C)CC3)cc2)c1
InChIInChI=1S/C31H35N5O3/c1-21-27(8-9-28(33-21)34-30(38)36-19-15-31(29(36)37)13-3-14-31)39-25-10-16-32-26(20-25)24-6-4-22(5-7-24)23-11-17-35(2)18-12-23/h4-10,16,20,23H,3,11-15,17-19H2,1-2H3,(H,33,34,38)
InChIKeyCWVJBQIXQGZLIZ-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.99
Rot. Bonds5

About N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide

N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 146267980) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID146267980
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCC3)C2=O)ccc1Oc1ccnc(-c2ccc(C3CCN(C)CC3)cc2)c1
InChIInChI=1S/C31H35N5O3/c1-21-27(8-9-28(33-21)34-30(38)36-19-15-31(29(36)37)13-3-14-31)39-25-10-16-32-26(20-25)24-6-4-22(5-7-24)23-11-17-35(2)18-12-23/h4-10,16,20,23H,3,11-15,17-19H2,1-2H3,(H,33,34,38)
InChIKeyCWVJBQIXQGZLIZ-UHFFFAOYSA-N
XLogP5.99
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide (CID 146267980) is N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide is Cc1nc(NC(=O)N2CCC3(CCC3)C2=O)ccc1Oc1ccnc(-c2ccc(C3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is CWVJBQIXQGZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-21-27(8-9-28(33-21)34-30(38)36-19-15-31(29(36)37)13-3-14-31)39-25-10-16-32-26(20-25)24-6-4-22(5-7-24)23-11-17-35(2)18-12-23/h4-10,16,20,23H,3,11-15,17-19H2,1-2H3,(H,33,34,38).
What are the key properties of N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 146267980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).