N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine

C16H11N5 — CID 21137166

IUPACN-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine
SMILESc1ccc(Nc2ncnc3cc4cccnc4nc23)cc1
InChIInChI=1S/C16H11N5/c1-2-6-12(7-3-1)20-16-14-13(18-10-19-16)9-11-5-4-8-17-15(11)21-14/h1-10H,(H,18,19,20)
InChIKeyKPCLIRWPLKQTBQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.32
Rot. Bonds2

About N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine

N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine (PubChem CID 21137166) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine.

Molecular Properties

Compound NameN-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine
PubChem CID21137166
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC NameN-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine
SMILESc1ccc(Nc2ncnc3cc4cccnc4nc23)cc1
InChIInChI=1S/C16H11N5/c1-2-6-12(7-3-1)20-16-14-13(18-10-19-16)9-11-5-4-8-17-15(11)21-14/h1-10H,(H,18,19,20)
InChIKeyKPCLIRWPLKQTBQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine?
The IUPAC name of N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine (CID 21137166) is N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine.
What is the SMILES notation for N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine?
The canonical SMILES for N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine is c1ccc(Nc2ncnc3cc4cccnc4nc23)cc1.
What is the InChIKey of N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine?
The InChIKey is KPCLIRWPLKQTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-6-12(7-3-1)20-16-14-13(18-10-19-16)9-11-5-4-8-17-15(11)21-14/h1-10H,(H,18,19,20).
What are the key properties of N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine?
N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine is sourced from PubChem (CID 21137166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).