6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine

C14H16N6 — CID 172643344

IUPAC6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCNc1cc2cc(-c3cncn3C)nc(N)c2cn1
InChIInChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyZZRQLAUQECWGOR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds3

About 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine

6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 172643344) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID172643344
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCNc1cc2cc(-c3cncn3C)nc(N)c2cn1
InChIInChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18)
InChIKeyZZRQLAUQECWGOR-UHFFFAOYSA-N
XLogP2.04
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine (CID 172643344) is 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine is CCNc1cc2cc(-c3cncn3C)nc(N)c2cn1.
What is the InChIKey of 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is ZZRQLAUQECWGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-17-13-5-9-4-11(12-7-16-8-20(12)2)19-14(15)10(9)6-18-13/h4-8H,3H2,1-2H3,(H2,15,19)(H,17,18).
What are the key properties of 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine?
6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-3-(3-methylimidazol-4-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 172643344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).