(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine

C18H30N2 — CID 170522830

IUPAC(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine
SMILESCc1nc(C(C)C)c2c(c1C)[C@H](C)[C@H](C)CN2C(C)C
InChIInChI=1S/C18H30N2/c1-10(2)17-18-16(14(7)15(8)19-17)13(6)12(5)9-20(18)11(3)4/h10-13H,9H2,1-8H3/t12-,13-/m1/s1
InChIKeyUFOVUNLDGAJPBW-CHWSQXEVSA-N
MW274.45 g/mol
LogP4.79
Rot. Bonds2

About (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine

(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine (PubChem CID 170522830) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine.

Molecular Properties

Compound Name(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine
PubChem CID170522830
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine
SMILESCc1nc(C(C)C)c2c(c1C)[C@H](C)[C@H](C)CN2C(C)C
InChIInChI=1S/C18H30N2/c1-10(2)17-18-16(14(7)15(8)19-17)13(6)12(5)9-20(18)11(3)4/h10-13H,9H2,1-8H3/t12-,13-/m1/s1
InChIKeyUFOVUNLDGAJPBW-CHWSQXEVSA-N
XLogP4.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine?
The IUPAC name of (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine (CID 170522830) is (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine.
What is the SMILES notation for (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine?
The canonical SMILES for (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine is Cc1nc(C(C)C)c2c(c1C)[C@H](C)[C@H](C)CN2C(C)C.
What is the InChIKey of (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine?
The InChIKey is UFOVUNLDGAJPBW-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H30N2/c1-10(2)17-18-16(14(7)15(8)19-17)13(6)12(5)9-20(18)11(3)4/h10-13H,9H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine?
(3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine has a molecular weight of 274.45 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4,5,6-tetramethyl-1,8-di(propan-2-yl)-3,4-dihydro-2H-1,7-naphthyridine is sourced from PubChem (CID 170522830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).