(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine

C22H18ClN3 — CID 58524476

IUPAC(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3/c1-14(24)15-7-9-17(10-8-15)21-18(16-5-3-2-4-6-16)13-19-20(26-21)11-12-25-22(19)23/h2-14H,24H2,1H3/t14-/m1/s1
InChIKeyBWELANXHLNVQDX-CQSZACIVSA-N
MW359.86 g/mol
LogP5.64
Rot. Bonds3

About (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine

(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine (PubChem CID 58524476) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
PubChem CID58524476
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3/c1-14(24)15-7-9-17(10-8-15)21-18(16-5-3-2-4-6-16)13-19-20(26-21)11-12-25-22(19)23/h2-14H,24H2,1H3/t14-/m1/s1
InChIKeyBWELANXHLNVQDX-CQSZACIVSA-N
XLogP5.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine (CID 58524476) is (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccccc2)cc1.
What is the InChIKey of (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine?
The InChIKey is BWELANXHLNVQDX-CQSZACIVSA-N. The full InChI is InChI=1S/C22H18ClN3/c1-14(24)15-7-9-17(10-8-15)21-18(16-5-3-2-4-6-16)13-19-20(26-21)11-12-25-22(19)23/h2-14H,24H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine?
(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine has a molecular weight of 359.86 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 58524476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).