6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine

C24H29N3 — CID 167157153

IUPAC6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine
SMILESC=C(CC)c1ccc(Cc2ccc3nc(N)c(CCCCC)cc3n2)cc1
InChIInChI=1S/C24H29N3/c1-4-6-7-8-20-16-23-22(27-24(20)25)14-13-21(26-23)15-18-9-11-19(12-10-18)17(3)5-2/h9-14,16H,3-8,15H2,1-2H3,(H2,25,27)
InChIKeyXGNCIJMFFNVLCY-UHFFFAOYSA-N
MW359.52 g/mol
LogP5.96
Rot. Bonds8

About 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine

6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine (PubChem CID 167157153) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine
PubChem CID167157153
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine
SMILESC=C(CC)c1ccc(Cc2ccc3nc(N)c(CCCCC)cc3n2)cc1
InChIInChI=1S/C24H29N3/c1-4-6-7-8-20-16-23-22(27-24(20)25)14-13-21(26-23)15-18-9-11-19(12-10-18)17(3)5-2/h9-14,16H,3-8,15H2,1-2H3,(H2,25,27)
InChIKeyXGNCIJMFFNVLCY-UHFFFAOYSA-N
XLogP5.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[1-(dimethylamino)ethenyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157124
5-benzyl-3-pentylquinolin-2-amine
CID 122192094
3-octylquinolin-2-amine
CID 23131231
4-but-1-en-2-yl-1-hexyl-2-methylbenzene
CID 142931159
5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157109
6-(benzotriazol-1-yl)-3-pentyl-1,5-naphthyridin-2-amine
CID 167157133
1-(3-fluoroprop-1-en-2-yl)-4-pentylbenzene
CID 134447420
6-methyl-5-[[2-(2-methylprop-2-enyl)-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-pentylpyridin-2-amine
CID 167157045
6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 167157088
5-[[3-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157059
6-methyl-3-pentylpyridin-2-amine
CID 167157111
[2-[(6-amino-2-methyl-5-pentyl-3-pyridinyl)methyl]-5-[(dimethylamino)methyl]phenyl] acetate
CID 167157163

Frequently Asked Questions

What is the IUPAC name of 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine?
The IUPAC name of 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine (CID 167157153) is 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine.
What is the SMILES notation for 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine?
The canonical SMILES for 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine is C=C(CC)c1ccc(Cc2ccc3nc(N)c(CCCCC)cc3n2)cc1.
What is the InChIKey of 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine?
The InChIKey is XGNCIJMFFNVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-4-6-7-8-20-16-23-22(27-24(20)25)14-13-21(26-23)15-18-9-11-19(12-10-18)17(3)5-2/h9-14,16H,3-8,15H2,1-2H3,(H2,25,27).
What are the key properties of 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine?
6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine has a molecular weight of 359.52 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-but-1-en-2-ylphenyl)methyl]-3-pentyl-1,5-naphthyridin-2-amine is sourced from PubChem (CID 167157153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).