8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide

C19H19BrFN5O — CID 45376181

IUPAC8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESNCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12
InChIInChI=1S/C19H19BrFN5O/c20-18-14-3-1-9-23-15(14)16(24-10-2-8-22)17(26-18)19(27)25-11-12-4-6-13(21)7-5-12/h1,3-7,9,24H,2,8,10-11,22H2,(H,25,27)
InChIKeyINWMMBWURJRZEZ-UHFFFAOYSA-N
MW432.30 g/mol
LogP3.22
Rot. Bonds7

About 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide

8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide (PubChem CID 45376181) has the molecular formula C19H19BrFN5O and a molecular weight of 432.30 g/mol. Its IUPAC name is 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
PubChem CID45376181
Molecular FormulaC19H19BrFN5O
Molecular Weight432.30 g/mol
Exact Mass431.08
IUPAC Name8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide
SMILESNCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12
InChIInChI=1S/C19H19BrFN5O/c20-18-14-3-1-9-23-15(14)16(24-10-2-8-22)17(26-18)19(27)25-11-12-4-6-13(21)7-5-12/h1,3-7,9,24H,2,8,10-11,22H2,(H,25,27)
InChIKeyINWMMBWURJRZEZ-UHFFFAOYSA-N
XLogP3.22
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide (CID 45376181) is 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide is NCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12.
What is the InChIKey of 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
The InChIKey is INWMMBWURJRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN5O/c20-18-14-3-1-9-23-15(14)16(24-10-2-8-22)17(26-18)19(27)25-11-12-4-6-13(21)7-5-12/h1,3-7,9,24H,2,8,10-11,22H2,(H,25,27).
What are the key properties of 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide?
8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide has a molecular weight of 432.30 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropylamino)-5-bromo-N-[(4-fluorophenyl)methyl]-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 45376181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).