2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine

C14H22N2 — CID 164720435

IUPAC2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC(C)c1cncc2c1CCN(C(C)C)C2
InChIInChI=1S/C14H22N2/c1-10(2)14-8-15-7-12-9-16(11(3)4)6-5-13(12)14/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyNKRQBIGUPNKHKV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.97
Rot. Bonds2

About 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine

2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 164720435) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID164720435
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC(C)c1cncc2c1CCN(C(C)C)C2
InChIInChI=1S/C14H22N2/c1-10(2)14-8-15-7-12-9-16(11(3)4)6-5-13(12)14/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyNKRQBIGUPNKHKV-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine (CID 164720435) is 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine is CC(C)c1cncc2c1CCN(C(C)C)C2.
What is the InChIKey of 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is NKRQBIGUPNKHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)14-8-15-7-12-9-16(11(3)4)6-5-13(12)14/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine?
2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 218.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 164720435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).