N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide

C22H33N3O2 — CID 91577551

IUPACN,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1c(C(C)(C)C)c(=O)[nH]c2ccncc12
InChIInChI=1S/C22H33N3O2/c1-6-8-12-25(13-9-7-2)19(26)14-16-17-15-23-11-10-18(17)24-21(27)20(16)22(3,4)5/h10-11,15H,6-9,12-14H2,1-5H3,(H,24,27)
InChIKeyBLDSGYRHNDIUEF-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.19
Rot. Bonds8

About N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide

N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide (PubChem CID 91577551) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide
PubChem CID91577551
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1c(C(C)(C)C)c(=O)[nH]c2ccncc12
InChIInChI=1S/C22H33N3O2/c1-6-8-12-25(13-9-7-2)19(26)14-16-17-15-23-11-10-18(17)24-21(27)20(16)22(3,4)5/h10-11,15H,6-9,12-14H2,1-5H3,(H,24,27)
InChIKeyBLDSGYRHNDIUEF-UHFFFAOYSA-N
XLogP4.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide (CID 91577551) is N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide is CCCCN(CCCC)C(=O)Cc1c(C(C)(C)C)c(=O)[nH]c2ccncc12.
What is the InChIKey of N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide?
The InChIKey is BLDSGYRHNDIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-6-8-12-25(13-9-7-2)19(26)14-16-17-15-23-11-10-18(17)24-21(27)20(16)22(3,4)5/h10-11,15H,6-9,12-14H2,1-5H3,(H,24,27).
What are the key properties of N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide?
N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(3-tert-butyl-2-oxo-1H-1,6-naphthyridin-4-yl)acetamide is sourced from PubChem (CID 91577551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).