N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine

C15H17BrClN3O — CID 114835416

IUPACN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C15H17BrClN3O/c1-21-13-5-3-12(4-6-13)20(8-2-7-18)15-14(16)9-11(17)10-19-15/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyINUZHMZUZCLMQC-UHFFFAOYSA-N
MW370.68 g/mol
LogP3.99
Rot. Bonds6

About N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine (PubChem CID 114835416) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
PubChem CID114835416
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC NameN'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C15H17BrClN3O/c1-21-13-5-3-12(4-6-13)20(8-2-7-18)15-14(16)9-11(17)10-19-15/h3-6,9-10H,2,7-8,18H2,1H3
InChIKeyINUZHMZUZCLMQC-UHFFFAOYSA-N
XLogP3.99
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 114835413
N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 60870620
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 106875227
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylpropane-1,3-diamine
CID 114835420
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470
N'-(4-methoxyphenyl)-N'-(3-methyl-2-pyridinyl)propane-1,3-diamine
CID 62253697
N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 62734340
N'-(4-methoxyphenyl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 43319000
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(5-chloro-2-methoxypyrimidin-4-yl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 80747253
N'-(4-methoxyphenyl)-N'-(6-methoxy-2-pyridinyl)propane-1,3-diamine
CID 63590194

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine (CID 114835416) is N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine is COc1ccc(N(CCCN)c2ncc(Cl)cc2Br)cc1.
What is the InChIKey of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is INUZHMZUZCLMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-21-13-5-3-12(4-6-13)20(8-2-7-18)15-14(16)9-11(17)10-19-15/h3-6,9-10H,2,7-8,18H2,1H3.
What are the key properties of N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 370.68 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 114835416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).