3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine

C22H24N4 — CID 159240940

IUPAC3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cc2ccncc2cn1.CC(C)c1cc2cnccc2cn1
InChIInChI=1S/2C11H12N2/c1-8(2)11-5-10-6-12-4-3-9(10)7-13-11;1-8(2)11-5-9-3-4-12-6-10(9)7-13-11/h2*3-8H,1-2H3
InChIKeyKUBWTJAKXFRSTQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.51
Rot. Bonds2

About 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine

3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine (PubChem CID 159240940) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
PubChem CID159240940
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cc2ccncc2cn1.CC(C)c1cc2cnccc2cn1
InChIInChI=1S/2C11H12N2/c1-8(2)11-5-10-6-12-4-3-9(10)7-13-11;1-8(2)11-5-9-3-4-12-6-10(9)7-13-11/h2*3-8H,1-2H3
InChIKeyKUBWTJAKXFRSTQ-UHFFFAOYSA-N
XLogP5.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-isoquinolin-6-ylpropyl)-3-propan-2-ylisoquinoline
CID 162748529
1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline
CID 155733442
ethane;methane;3-methyl-2,6-naphthyridine
CID 144748880
6-propan-2-ylpyrido[3,4-d]pyrimidine
CID 59592820
3-(3-methylbutan-2-yl)isoquinoline
CID 176748881
(1R)-1-isoquinolin-3-ylethanamine
CID 131033550
2-isoquinolin-6-yloxypropanoic acid
CID 82580346
N,3-di(propan-2-yl)-2,6-naphthyridin-1-amine
CID 20626410
6-propan-2-yl-2-[2-(1H-pyrrolo[2,3-c]pyridin-2-yl)propyl]-1H-pyrrolo[3,2-c]pyridine
CID 146339122
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
ethane;isoquinoline;hydroiodide
CID 153349858
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine (CID 159240940) is 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine is CC(C)c1cc2ccncc2cn1.CC(C)c1cc2cnccc2cn1.
What is the InChIKey of 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine?
The InChIKey is KUBWTJAKXFRSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2/c1-8(2)11-5-10-6-12-4-3-9(10)7-13-11;1-8(2)11-5-9-3-4-12-6-10(9)7-13-11/h2*3-8H,1-2H3.
What are the key properties of 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine?
3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine has a molecular weight of 344.46 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,6-naphthyridine;3-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 159240940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).