6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine

C30H26N4O2 — CID 90773105

IUPAC6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine
SMILESNC1(c2ccc(-c3nc4ccnc(-c5ccncc5)c4cc3-c3ccccc3)cc2)COCCOC1
InChIInChI=1S/C30H26N4O2/c31-30(19-35-16-17-36-20-30)24-8-6-22(7-9-24)29-25(21-4-2-1-3-5-21)18-26-27(34-29)12-15-33-28(26)23-10-13-32-14-11-23/h1-15,18H,16-17,19-20,31H2
InChIKeyVONXHHORTWWSOU-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.23
Rot. Bonds4

About 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine

6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine (PubChem CID 90773105) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine.

Molecular Properties

Compound Name6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine
PubChem CID90773105
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine
SMILESNC1(c2ccc(-c3nc4ccnc(-c5ccncc5)c4cc3-c3ccccc3)cc2)COCCOC1
InChIInChI=1S/C30H26N4O2/c31-30(19-35-16-17-36-20-30)24-8-6-22(7-9-24)29-25(21-4-2-1-3-5-21)18-26-27(34-29)12-15-33-28(26)23-10-13-32-14-11-23/h1-15,18H,16-17,19-20,31H2
InChIKeyVONXHHORTWWSOU-UHFFFAOYSA-N
XLogP5.23
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine with MolForge

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Related Compounds

1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
CID 163851685
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516
3-(4-phenylphenyl)oxetan-3-amine
CID 116872637
1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 163955466
2-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
CID 24960031
[2-[4-[3-phenyl-5-(1H-pyrazol-4-yl)-1,6-naphthyridin-2-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-yl]carbamic acid
CID 68782120
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine?
The IUPAC name of 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine (CID 90773105) is 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine.
What is the SMILES notation for 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine?
The canonical SMILES for 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine is NC1(c2ccc(-c3nc4ccnc(-c5ccncc5)c4cc3-c3ccccc3)cc2)COCCOC1.
What is the InChIKey of 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine?
The InChIKey is VONXHHORTWWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c31-30(19-35-16-17-36-20-30)24-8-6-22(7-9-24)29-25(21-4-2-1-3-5-21)18-26-27(34-29)12-15-33-28(26)23-10-13-32-14-11-23/h1-15,18H,16-17,19-20,31H2.
What are the key properties of 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine?
6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine has a molecular weight of 474.56 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-phenyl-5-pyridin-4-yl-1,6-naphthyridin-2-yl)phenyl]-1,4-dioxepan-6-amine is sourced from PubChem (CID 90773105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).