N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine

C30H32Cl2N4O2 — CID 146207092

IUPACN-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(-c3cccc(-c4ccc(CNCC)c(OC)n4)c3Cl)c2Cl)nc1OC
InChIInChI=1S/C30H32Cl2N4O2/c1-5-33-17-19-13-15-25(35-29(19)37-3)23-11-7-9-21(27(23)31)22-10-8-12-24(28(22)32)26-16-14-20(18-34-6-2)30(36-26)38-4/h7-16,33-34H,5-6,17-18H2,1-4H3
InChIKeyOJFCZNLKTYEFQH-UHFFFAOYSA-N
MW551.52 g/mol
LogP7.02
Rot. Bonds11

About N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine

N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine (PubChem CID 146207092) has the molecular formula C30H32Cl2N4O2 and a molecular weight of 551.52 g/mol. Its IUPAC name is N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine
PubChem CID146207092
Molecular FormulaC30H32Cl2N4O2
Molecular Weight551.52 g/mol
Exact Mass550.19
IUPAC NameN-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc(-c3cccc(-c4ccc(CNCC)c(OC)n4)c3Cl)c2Cl)nc1OC
InChIInChI=1S/C30H32Cl2N4O2/c1-5-33-17-19-13-15-25(35-29(19)37-3)23-11-7-9-21(27(23)31)22-10-8-12-24(28(22)32)26-16-14-20(18-34-6-2)30(36-26)38-4/h7-16,33-34H,5-6,17-18H2,1-4H3
InChIKeyOJFCZNLKTYEFQH-UHFFFAOYSA-N
XLogP7.02
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine (CID 146207092) is N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(-c2cccc(-c3cccc(-c4ccc(CNCC)c(OC)n4)c3Cl)c2Cl)nc1OC.
What is the InChIKey of N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine?
The InChIKey is OJFCZNLKTYEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N4O2/c1-5-33-17-19-13-15-25(35-29(19)37-3)23-11-7-9-21(27(23)31)22-10-8-12-24(28(22)32)26-16-14-20(18-34-6-2)30(36-26)38-4/h7-16,33-34H,5-6,17-18H2,1-4H3.
What are the key properties of N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine?
N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine has a molecular weight of 551.52 g/mol, XLogP of 7.02, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-chloro-3-[2-chloro-3-[5-(ethylaminomethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 146207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).