8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide

C18H17BrFN5O — CID 45376182

IUPAC8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESNCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12
InChIInChI=1S/C18H17BrFN5O/c19-17-13-2-1-8-22-14(13)15(23-9-7-21)16(25-17)18(26)24-10-11-3-5-12(20)6-4-11/h1-6,8,23H,7,9-10,21H2,(H,24,26)
InChIKeyQMQNGISQWSWZQW-UHFFFAOYSA-N
MW418.27 g/mol
LogP2.83
Rot. Bonds6

About 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide

8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 45376182) has the molecular formula C18H17BrFN5O and a molecular weight of 418.27 g/mol. Its IUPAC name is 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID45376182
Molecular FormulaC18H17BrFN5O
Molecular Weight418.27 g/mol
Exact Mass417.06
IUPAC Name8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESNCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12
InChIInChI=1S/C18H17BrFN5O/c19-17-13-2-1-8-22-14(13)15(23-9-7-21)16(25-17)18(26)24-10-11-3-5-12(20)6-4-11/h1-6,8,23H,7,9-10,21H2,(H,24,26)
InChIKeyQMQNGISQWSWZQW-UHFFFAOYSA-N
XLogP2.83
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide (CID 45376182) is 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide is NCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12.
What is the InChIKey of 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is QMQNGISQWSWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN5O/c19-17-13-2-1-8-22-14(13)15(23-9-7-21)16(25-17)18(26)24-10-11-3-5-12(20)6-4-11/h1-6,8,23H,7,9-10,21H2,(H,24,26).
What are the key properties of 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 418.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 45376182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).