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

C27H27N5 — CID 89044335

IUPAC1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
SMILES[H]/N=C/C(CN)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C27H27N5/c28-16-20(17-29)23-11-12-24-25(31-23)15-22(18-5-2-1-3-6-18)26(32-24)19-7-9-21(10-8-19)27(30)13-4-14-27/h1-3,5-12,15-16,20,28H,4,13-14,17,29-30H2/b28-16+
InChIKeyOTQSLFHJEOMVMX-LQKURTRISA-N
MW421.55 g/mol
LogP4.99
Rot. Bonds6

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

1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine (PubChem CID 89044335) has the molecular formula C27H27N5 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
PubChem CID89044335
Molecular FormulaC27H27N5
Molecular Weight421.55 g/mol
Exact Mass421.23
IUPAC Name1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
SMILES[H]/N=C/C(CN)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc2n1
InChIInChI=1S/C27H27N5/c28-16-20(17-29)23-11-12-24-25(31-23)15-22(18-5-2-1-3-6-18)26(32-24)19-7-9-21(10-8-19)27(30)13-4-14-27/h1-3,5-12,15-16,20,28H,4,13-14,17,29-30H2/b28-16+
InChIKeyOTQSLFHJEOMVMX-LQKURTRISA-N
XLogP4.99
TPSA101.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine (CID 89044335) is 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine is [H]/N=C/C(CN)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc2n1.
What is the InChIKey of 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
The InChIKey is OTQSLFHJEOMVMX-LQKURTRISA-N. The full InChI is InChI=1S/C27H27N5/c28-16-20(17-29)23-11-12-24-25(31-23)15-22(18-5-2-1-3-6-18)26(32-24)19-7-9-21(10-8-19)27(30)13-4-14-27/h1-3,5-12,15-16,20,28H,4,13-14,17,29-30H2/b28-16+.
What are the key properties of 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine?
1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine has a molecular weight of 421.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-amino-3-iminopropan-2-yl)-3-phenyl-1,5-naphthyridin-2-yl]phenyl]cyclobutan-1-amine is sourced from PubChem (CID 89044335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).