4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide

C19H21N5O2 — CID 155032193

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CCC4(CC3)CC4)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C19H21N5O2/c1-2-21-18(26)14-9-12-15(11-22-14)23-17(25)13(10-20)16(12)24-7-5-19(3-4-19)6-8-24/h9,11H,2-8H2,1H3,(H,21,26)(H,23,25)
InChIKeyAXMMWYAMUHGEEJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.92
Rot. Bonds3

About 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide (PubChem CID 155032193) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
PubChem CID155032193
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
SMILESCCNC(=O)c1cc2c(N3CCC4(CC3)CC4)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C19H21N5O2/c1-2-21-18(26)14-9-12-15(11-22-14)23-17(25)13(10-20)16(12)24-7-5-19(3-4-19)6-8-24/h9,11H,2-8H2,1H3,(H,21,26)(H,23,25)
InChIKeyAXMMWYAMUHGEEJ-UHFFFAOYSA-N
XLogP1.92
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide (CID 155032193) is 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide is CCNC(=O)c1cc2c(N3CCC4(CC3)CC4)c(C#N)c(=O)[nH]c2cn1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide?
The InChIKey is AXMMWYAMUHGEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-21-18(26)14-9-12-15(11-22-14)23-17(25)13(10-20)16(12)24-7-5-19(3-4-19)6-8-24/h9,11H,2-8H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide?
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 155032193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).