3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine

C27H27N3 — CID 163851685

IUPAC3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
SMILESCc1nccc2nc(-c3ccc(C4(N)CC(C)(C)C4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C27H27N3/c1-18-22-15-23(19-7-5-4-6-8-19)25(30-24(22)13-14-29-18)20-9-11-21(12-10-20)27(28)16-26(2,3)17-27/h4-15H,16-17,28H2,1-3H3
InChIKeyOUXISACSHBQHKQ-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.25
Rot. Bonds3

About 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine

3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine (PubChem CID 163851685) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
PubChem CID163851685
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
SMILESCc1nccc2nc(-c3ccc(C4(N)CC(C)(C)C4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C27H27N3/c1-18-22-15-23(19-7-5-4-6-8-19)25(30-24(22)13-14-29-18)20-9-11-21(12-10-20)27(28)16-26(2,3)17-27/h4-15H,16-17,28H2,1-3H3
InChIKeyOUXISACSHBQHKQ-UHFFFAOYSA-N
XLogP6.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine
CID 68784299
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine
CID 90773105
tert-butyl N-[3,3-difluoro-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 152811384
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
3-methoxy-3-methyl-1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 58229850
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine (CID 163851685) is 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine is Cc1nccc2nc(-c3ccc(C4(N)CC(C)(C)C4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine?
The InChIKey is OUXISACSHBQHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-18-22-15-23(19-7-5-4-6-8-19)25(30-24(22)13-14-29-18)20-9-11-21(12-10-20)27(28)16-26(2,3)17-27/h4-15H,16-17,28H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine?
3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine has a molecular weight of 393.53 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 163851685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).