methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate

C19H19BrN4O2 — CID 59644842

IUPACmethyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate
SMILESCOC(=O)NCCCNc1nc(-c2cccc(Br)c2)cc2ncccc12
InChIInChI=1S/C19H19BrN4O2/c1-26-19(25)23-10-4-9-22-18-15-7-3-8-21-17(15)12-16(24-18)13-5-2-6-14(20)11-13/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyODWJZQOMCROXAY-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.22
Rot. Bonds6

About methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate

methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate (PubChem CID 59644842) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate
PubChem CID59644842
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Namemethyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate
SMILESCOC(=O)NCCCNc1nc(-c2cccc(Br)c2)cc2ncccc12
InChIInChI=1S/C19H19BrN4O2/c1-26-19(25)23-10-4-9-22-18-15-7-3-8-21-17(15)12-16(24-18)13-5-2-6-14(20)11-13/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyODWJZQOMCROXAY-UHFFFAOYSA-N
XLogP4.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate?
The IUPAC name of methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate (CID 59644842) is methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate?
The canonical SMILES for methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate is COC(=O)NCCCNc1nc(-c2cccc(Br)c2)cc2ncccc12.
What is the InChIKey of methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate?
The InChIKey is ODWJZQOMCROXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-26-19(25)23-10-4-9-22-18-15-7-3-8-21-17(15)12-16(24-18)13-5-2-6-14(20)11-13/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate?
methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate has a molecular weight of 415.29 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[7-(3-bromophenyl)-1,6-naphthyridin-5-yl]amino]propyl]carbamate is sourced from PubChem (CID 59644842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).