[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine

C26H24Cl2N4O2 — CID 146206774

IUPAC[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN)c(OC)n4)c3Cl)c2Cl)ccc1CN
InChIInChI=1S/C26H24Cl2N4O2/c1-33-25-15(13-29)9-11-21(31-25)19-7-3-5-17(23(19)27)18-6-4-8-20(24(18)28)22-12-10-16(14-30)26(32-22)34-2/h3-12H,13-14,29-30H2,1-2H3
InChIKeyQDIFOVNDQSISHL-UHFFFAOYSA-N
MW495.41 g/mol
LogP5.72
Rot. Bonds7

About [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine

[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine (PubChem CID 146206774) has the molecular formula C26H24Cl2N4O2 and a molecular weight of 495.41 g/mol. Its IUPAC name is [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine
PubChem CID146206774
Molecular FormulaC26H24Cl2N4O2
Molecular Weight495.41 g/mol
Exact Mass494.13
IUPAC Name[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN)c(OC)n4)c3Cl)c2Cl)ccc1CN
InChIInChI=1S/C26H24Cl2N4O2/c1-33-25-15(13-29)9-11-21(31-25)19-7-3-5-17(23(19)27)18-6-4-8-20(24(18)28)22-12-10-16(14-30)26(32-22)34-2/h3-12H,13-14,29-30H2,1-2H3
InChIKeyQDIFOVNDQSISHL-UHFFFAOYSA-N
XLogP5.72
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine (CID 146206774) is [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN)c(OC)n4)c3Cl)c2Cl)ccc1CN.
What is the InChIKey of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine?
The InChIKey is QDIFOVNDQSISHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O2/c1-33-25-15(13-29)9-11-21(31-25)19-7-3-5-17(23(19)27)18-6-4-8-20(24(18)28)22-12-10-16(14-30)26(32-22)34-2/h3-12H,13-14,29-30H2,1-2H3.
What are the key properties of [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine?
[6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine has a molecular weight of 495.41 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-[3-[5-(aminomethyl)-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 146206774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).