6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine

C14H16ClN3O — CID 80814732

IUPAC6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-16-13-5-4-6-14(18-13)17-12-9-10(19-2)7-8-11(12)15/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyVVZQQSJRPAIMOV-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.92
Rot. Bonds5

About 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine

6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 80814732) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID80814732
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-16-13-5-4-6-14(18-13)17-12-9-10(19-2)7-8-11(12)15/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyVVZQQSJRPAIMOV-UHFFFAOYSA-N
XLogP3.92
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (CID 80814732) is 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2cc(OC)ccc2Cl)n1.
What is the InChIKey of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is VVZQQSJRPAIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-16-13-5-4-6-14(18-13)17-12-9-10(19-2)7-8-11(12)15/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 277.76 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80814732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).