[(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid

C23H23N5O4 — CID 69234004

IUPAC[(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid
SMILESCC[C@H](COc1cncc(-c2cc3c(cnc4cc(OC)ccc43)c(N)n2)c1)NC(=O)O
InChIInChI=1S/C23H23N5O4/c1-3-14(27-23(29)30)12-32-16-6-13(9-25-10-16)20-8-18-17-5-4-15(31-2)7-21(17)26-11-19(18)22(24)28-20/h4-11,14,27H,3,12H2,1-2H3,(H2,24,28)(H,29,30)/t14-/m1/s1
InChIKeyWDUNEMPHTDAZDB-CQSZACIVSA-N
MW433.47 g/mol
LogP3.86
Rot. Bonds7

About [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid

[(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid (PubChem CID 69234004) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid
PubChem CID69234004
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name[(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid
SMILESCC[C@H](COc1cncc(-c2cc3c(cnc4cc(OC)ccc43)c(N)n2)c1)NC(=O)O
InChIInChI=1S/C23H23N5O4/c1-3-14(27-23(29)30)12-32-16-6-13(9-25-10-16)20-8-18-17-5-4-15(31-2)7-21(17)26-11-19(18)22(24)28-20/h4-11,14,27H,3,12H2,1-2H3,(H2,24,28)(H,29,30)/t14-/m1/s1
InChIKeyWDUNEMPHTDAZDB-CQSZACIVSA-N
XLogP3.86
TPSA132.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid (CID 69234004) is [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid is CC[C@H](COc1cncc(-c2cc3c(cnc4cc(OC)ccc43)c(N)n2)c1)NC(=O)O.
What is the InChIKey of [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid?
The InChIKey is WDUNEMPHTDAZDB-CQSZACIVSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-3-14(27-23(29)30)12-32-16-6-13(9-25-10-16)20-8-18-17-5-4-15(31-2)7-21(17)26-11-19(18)22(24)28-20/h4-11,14,27H,3,12H2,1-2H3,(H2,24,28)(H,29,30)/t14-/m1/s1.
What are the key properties of [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid?
[(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid has a molecular weight of 433.47 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-(4-amino-8-methoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]butan-2-yl]carbamic acid is sourced from PubChem (CID 69234004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).