butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate

C17H23N3O4 — CID 169088316

IUPACbutyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate
SMILESCCCCOC(=O)Nc1cnc2ccc(OC)nc2c1C(C)OC
InChIInChI=1S/C17H23N3O4/c1-5-6-9-24-17(21)19-13-10-18-12-7-8-14(23-4)20-16(12)15(13)11(2)22-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyWWIFTNPJNRYUBT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.69
Rot. Bonds7

About butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate

butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate (PubChem CID 169088316) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate
PubChem CID169088316
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namebutyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate
SMILESCCCCOC(=O)Nc1cnc2ccc(OC)nc2c1C(C)OC
InChIInChI=1S/C17H23N3O4/c1-5-6-9-24-17(21)19-13-10-18-12-7-8-14(23-4)20-16(12)15(13)11(2)22-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21)
InChIKeyWWIFTNPJNRYUBT-UHFFFAOYSA-N
XLogP3.69
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate with MolForge

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Related Compounds

ethyl 2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxobutanoate
CID 90362983
1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
CID 156772694
2-ethyl-N-(6-methoxy-1,5-naphthyridin-4-yl)nonanamide
CID 143637389
3-butan-2-yloxy-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopropanoic acid
CID 67131048
butyl N-(6-chloro-3-formyl-2-pyridinyl)carbamate
CID 178077855
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
1-[6-chloro-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]-3-[5-chloro-2-methyl-6-(triazol-2-yl)-3-pyridinyl]urea
CID 166769801
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-2-hydroxyethyl] acetate
CID 177226897
tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate
CID 163260744
butyl N-(7-iodo-4-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 88987982
butyl N-[(1S,2S)-2-methyl-1-quinoxalin-2-ylbutyl]carbamate
CID 101065054

Frequently Asked Questions

What is the IUPAC name of butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
The IUPAC name of butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate (CID 169088316) is butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate.
What is the SMILES notation for butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
The canonical SMILES for butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate is CCCCOC(=O)Nc1cnc2ccc(OC)nc2c1C(C)OC.
What is the InChIKey of butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
The InChIKey is WWIFTNPJNRYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-5-6-9-24-17(21)19-13-10-18-12-7-8-14(23-4)20-16(12)15(13)11(2)22-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,21).
What are the key properties of butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[6-methoxy-4-(1-methoxyethyl)-1,5-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 169088316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).