methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate

C18H25N3O2 — CID 160668562

IUPACmethyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate
SMILESCOC(=O)CCCNCc1cnc2c(C(C)(C)C)nccc2c1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)17-16-14(7-9-20-17)10-13(12-21-16)11-19-8-5-6-15(22)23-4/h7,9-10,12,19H,5-6,8,11H2,1-4H3
InChIKeyKXCGCBZGRAUVAH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.97
Rot. Bonds6

About methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate

methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate (PubChem CID 160668562) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate
PubChem CID160668562
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namemethyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate
SMILESCOC(=O)CCCNCc1cnc2c(C(C)(C)C)nccc2c1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)17-16-14(7-9-20-17)10-13(12-21-16)11-19-8-5-6-15(22)23-4/h7,9-10,12,19H,5-6,8,11H2,1-4H3
InChIKeyKXCGCBZGRAUVAH-UHFFFAOYSA-N
XLogP2.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate with MolForge

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Related Compounds

methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
N-[2-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]ethyl]acetamide
CID 139573493
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
methyl 4-[(3-methylphenyl)methylamino]butanoate
CID 60694757
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
(3R)-3-hydroxy-3-methyl-4-[(8-methyl-1,7-naphthyridin-3-yl)methylamino]butanoic acid
CID 139573506
methyl 4-[(4-propan-2-ylphenyl)methylamino]butanoate
CID 54917794
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
methyl 3-[(4-trimethylsilylphenyl)methylamino]propanoate
CID 103437611

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate?
The IUPAC name of methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate (CID 160668562) is methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate.
What is the SMILES notation for methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate?
The canonical SMILES for methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate is COC(=O)CCCNCc1cnc2c(C(C)(C)C)nccc2c1.
What is the InChIKey of methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate?
The InChIKey is KXCGCBZGRAUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)17-16-14(7-9-20-17)10-13(12-21-16)11-19-8-5-6-15(22)23-4/h7,9-10,12,19H,5-6,8,11H2,1-4H3.
What are the key properties of methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate?
methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate has a molecular weight of 315.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(8-tert-butyl-1,7-naphthyridin-3-yl)methylamino]butanoate is sourced from PubChem (CID 160668562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).