N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide

C19H19N5O4 — CID 146267815

IUPACN-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC4(CC4)C3=O)nc2)ccn1
InChIInChI=1S/C19H19N5O4/c1-20-16(25)14-10-12(4-8-21-14)28-13-2-3-15(22-11-13)23-18(27)24-9-7-19(5-6-19)17(24)26/h2-4,8,10-11H,5-7,9H2,1H3,(H,20,25)(H,22,23,27)
InChIKeyHGYUGZVEYLWSGQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.17
Rot. Bonds4

About N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide

N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 146267815) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID146267815
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC4(CC4)C3=O)nc2)ccn1
InChIInChI=1S/C19H19N5O4/c1-20-16(25)14-10-12(4-8-21-14)28-13-2-3-15(22-11-13)23-18(27)24-9-7-19(5-6-19)17(24)26/h2-4,8,10-11H,5-7,9H2,1H3,(H,20,25)(H,22,23,27)
InChIKeyHGYUGZVEYLWSGQ-UHFFFAOYSA-N
XLogP2.17
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide (CID 146267815) is N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCC4(CC4)C3=O)nc2)ccn1.
What is the InChIKey of N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is HGYUGZVEYLWSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-20-16(25)14-10-12(4-8-21-14)28-13-2-3-15(22-11-13)23-18(27)24-9-7-19(5-6-19)17(24)26/h2-4,8,10-11H,5-7,9H2,1H3,(H,20,25)(H,22,23,27).
What are the key properties of N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide?
N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2-pyridinyl]-4-oxo-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 146267815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).