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

C19H22N6O2 — CID 155019244

IUPACN-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2nc(C(=O)NCCN)ccc2[nH]c1=O
InChIInChI=1S/C19H22N6O2/c20-7-8-22-18(27)14-2-1-13-15(23-14)16(12(11-21)17(26)24-13)25-9-5-19(3-4-19)6-10-25/h1-2H,3-10,20H2,(H,22,27)(H,24,26)
InChIKeyQJHBKNZZJPDDHL-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.86
Rot. Bonds4

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

N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 155019244) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID155019244
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2nc(C(=O)NCCN)ccc2[nH]c1=O
InChIInChI=1S/C19H22N6O2/c20-7-8-22-18(27)14-2-1-13-15(23-14)16(12(11-21)17(26)24-13)25-9-5-19(3-4-19)6-10-25/h1-2H,3-10,20H2,(H,22,27)(H,24,26)
InChIKeyQJHBKNZZJPDDHL-UHFFFAOYSA-N
XLogP0.86
TPSA127.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 155019244) is N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide is N#Cc1c(N2CCC3(CC2)CC3)c2nc(C(=O)NCCN)ccc2[nH]c1=O.
What is the InChIKey of N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is QJHBKNZZJPDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c20-7-8-22-18(27)14-2-1-13-15(23-14)16(12(11-21)17(26)24-13)25-9-5-19(3-4-19)6-10-25/h1-2H,3-10,20H2,(H,22,27)(H,24,26).
What are the key properties of N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 155019244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).