1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine

C27H25N3S — CID 143262459

IUPAC1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine
SMILESc1ccc(CN2CC(NSc3ccccc3)Cc3cc(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C27H25N3S/c1-4-10-21(11-5-1)19-30-20-25(29-31-26-14-8-3-9-15-26)17-23-16-24(18-28-27(23)30)22-12-6-2-7-13-22/h1-16,18,25,29H,17,19-20H2
InChIKeyMNQOKIBDIIVYHI-UHFFFAOYSA-N
MW423.59 g/mol
LogP5.98
Rot. Bonds6

About 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine

1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine (PubChem CID 143262459) has the molecular formula C27H25N3S and a molecular weight of 423.59 g/mol. Its IUPAC name is 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine.

Molecular Properties

Compound Name1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine
PubChem CID143262459
Molecular FormulaC27H25N3S
Molecular Weight423.59 g/mol
Exact Mass423.18
IUPAC Name1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine
SMILESc1ccc(CN2CC(NSc3ccccc3)Cc3cc(-c4ccccc4)cnc32)cc1
InChIInChI=1S/C27H25N3S/c1-4-10-21(11-5-1)19-30-20-25(29-31-26-14-8-3-9-15-26)17-23-16-24(18-28-27(23)30)22-12-6-2-7-13-22/h1-16,18,25,29H,17,19-20H2
InChIKeyMNQOKIBDIIVYHI-UHFFFAOYSA-N
XLogP5.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.59
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6aR)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265620
(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265627
(6aR)-4-[(4-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265675
1-(1-Piperazinyl)-3-(2-cyclohexylaminopyrid-4-yl)isoquinoline
CID 46900714
(R)-4-(2-fluorobenzyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265685
Piperazine, 1-(2-pyridinyl)-4-(3,3,3-triphenylpropyl)-
CID 210873
(6aR,7R,12aS)-5-(4-methylphenyl)sulfonyl-7-phenyl-6a,7,12,12a-tetrahydro-6H-quinolino[4,3-b][1,8]naphthyridine
CID 164626964
(R)-3-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265668
(R)-4-(cyclohexylmethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265698
(R)-4-phenethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265742
(R)-3-benzyl-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265745
(R)-3-(cyclohexylmethyl)-4-ethyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265833

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine?
The IUPAC name of 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine (CID 143262459) is 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine.
What is the SMILES notation for 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine?
The canonical SMILES for 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine is c1ccc(CN2CC(NSc3ccccc3)Cc3cc(-c4ccccc4)cnc32)cc1.
What is the InChIKey of 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine?
The InChIKey is MNQOKIBDIIVYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3S/c1-4-10-21(11-5-1)19-30-20-25(29-31-26-14-8-3-9-15-26)17-23-16-24(18-28-27(23)30)22-12-6-2-7-13-22/h1-16,18,25,29H,17,19-20H2.
What are the key properties of 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine?
1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine has a molecular weight of 423.59 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-phenyl-N-phenylsulfanyl-3,4-dihydro-2H-1,8-naphthyridin-3-amine is sourced from PubChem (CID 143262459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).