1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide

C19H20BrN3O2 — CID 69412648

IUPAC1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1Cc2cccnc2N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C19H20BrN3O2/c1-19(2,3)22-17(24)15-10-12-6-5-9-21-16(12)23(18(15)25)14-8-4-7-13(20)11-14/h4-9,11,15H,10H2,1-3H3,(H,22,24)
InChIKeyUJNHBUQMHDCEPP-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.60
Rot. Bonds2

About 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide

1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide (PubChem CID 69412648) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
PubChem CID69412648
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1Cc2cccnc2N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C19H20BrN3O2/c1-19(2,3)22-17(24)15-10-12-6-5-9-21-16(12)23(18(15)25)14-8-4-7-13(20)11-14/h4-9,11,15H,10H2,1-3H3,(H,22,24)
InChIKeyUJNHBUQMHDCEPP-UHFFFAOYSA-N
XLogP3.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide (CID 69412648) is 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide is CC(C)(C)NC(=O)C1Cc2cccnc2N(c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
The InChIKey is UJNHBUQMHDCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-19(2,3)22-17(24)15-10-12-6-5-9-21-16(12)23(18(15)25)14-8-4-7-13(20)11-14/h4-9,11,15H,10H2,1-3H3,(H,22,24).
What are the key properties of 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 69412648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).