8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide

C24H30N6O2 — CID 155019247

IUPAC8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc3[nH]c(=O)c(C#N)c(N4CCC5(CC4)CC5)c3n2)CC1
InChIInChI=1S/C24H30N6O2/c1-29-10-4-16(5-11-29)15-26-23(32)19-3-2-18-20(27-19)21(17(14-25)22(31)28-18)30-12-8-24(6-7-24)9-13-30/h2-3,16H,4-13,15H2,1H3,(H,26,32)(H,28,31)
InChIKeyKSRNVTHDZPEZRQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.25
Rot. Bonds4

About 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide

8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 155019247) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID155019247
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc3[nH]c(=O)c(C#N)c(N4CCC5(CC4)CC5)c3n2)CC1
InChIInChI=1S/C24H30N6O2/c1-29-10-4-16(5-11-29)15-26-23(32)19-3-2-18-20(27-19)21(17(14-25)22(31)28-18)30-12-8-24(6-7-24)9-13-30/h2-3,16H,4-13,15H2,1H3,(H,26,32)(H,28,31)
InChIKeyKSRNVTHDZPEZRQ-UHFFFAOYSA-N
XLogP2.25
TPSA105.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 155019247) is 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide is CN1CCC(CNC(=O)c2ccc3[nH]c(=O)c(C#N)c(N4CCC5(CC4)CC5)c3n2)CC1.
What is the InChIKey of 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is KSRNVTHDZPEZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-29-10-4-16(5-11-29)15-26-23(32)19-3-2-18-20(27-19)21(17(14-25)22(31)28-18)30-12-8-24(6-7-24)9-13-30/h2-3,16H,4-13,15H2,1H3,(H,26,32)(H,28,31).
What are the key properties of 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 155019247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).