N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide

C17H23N3O2 — CID 4083602

IUPACN-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C17H23N3O2/c1-5-7-10-19(4)17(22)14-11-20(6-2)16-13(15(14)21)9-8-12(3)18-16/h8-9,11H,5-7,10H2,1-4H3
InChIKeyOPVKUPRGGASYDM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds5

About N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 4083602) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID4083602
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C17H23N3O2/c1-5-7-10-19(4)17(22)14-11-20(6-2)16-13(15(14)21)9-8-12(3)18-16/h8-9,11H,5-7,10H2,1-4H3
InChIKeyOPVKUPRGGASYDM-UHFFFAOYSA-N
XLogP2.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 4083602) is N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCCCN(C)C(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OPVKUPRGGASYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-7-10-19(4)17(22)14-11-20(6-2)16-13(15(14)21)9-8-12(3)18-16/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 4083602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).