butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate

C14H17N3O2 — CID 11311488

IUPACbutyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
SMILESCCCCOC(=O)Nc1cc2cccnc2nc1C
InChIInChI=1S/C14H17N3O2/c1-3-4-8-19-14(18)17-12-9-11-6-5-7-15-13(11)16-10(12)2/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyHCTMPGKJEMCKMM-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.29
Rot. Bonds4

About butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate

butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate (PubChem CID 11311488) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
PubChem CID11311488
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namebutyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
SMILESCCCCOC(=O)Nc1cc2cccnc2nc1C
InChIInChI=1S/C14H17N3O2/c1-3-4-8-19-14(18)17-12-9-11-6-5-7-15-13(11)16-10(12)2/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyHCTMPGKJEMCKMM-UHFFFAOYSA-N
XLogP3.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate
CID 11460974
1-(2-methyl-1,8-naphthyridin-3-yl)-3-(4-methylphenyl)urea
CID 46947659
CID 22135188
CID 22135188
1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea
CID 46947661
butyl N-(2-pyridin-4-yl-1-benzofuran-7-yl)carbamate
CID 19709985
methyl 2-[2-(butoxycarbonylamino)phenyl]-2-oxoacetate
CID 70472077
butyl N-[4-(4-fluoro-2-methylphenyl)-3-pyridinyl]carbamate
CID 123490166
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735
butyl N-[2-(4-methylanilino)phenyl]carbamate
CID 108745026
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
The IUPAC name of butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate (CID 11311488) is butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate.
What is the SMILES notation for butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
The canonical SMILES for butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate is CCCCOC(=O)Nc1cc2cccnc2nc1C.
What is the InChIKey of butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
The InChIKey is HCTMPGKJEMCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-8-19-14(18)17-12-9-11-6-5-7-15-13(11)16-10(12)2/h5-7,9H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate?
butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate has a molecular weight of 259.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-methyl-1,8-naphthyridin-3-yl)carbamate is sourced from PubChem (CID 11311488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).