5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine

C15H18ClN3O2 — CID 104532128

IUPAC5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C15H18ClN3O2/c1-4-18-10-5-11(9-17-8-10)19-13-7-14(20-2)12(16)6-15(13)21-3/h5-9,18-19H,4H2,1-3H3
InChIKeyGSUUAVRAJAQWCV-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.93
Rot. Bonds6

About 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine

5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104532128) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104532128
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C15H18ClN3O2/c1-4-18-10-5-11(9-17-8-10)19-13-7-14(20-2)12(16)6-15(13)21-3/h5-9,18-19H,4H2,1-3H3
InChIKeyGSUUAVRAJAQWCV-UHFFFAOYSA-N
XLogP3.93
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
5-N-(3,4-dichlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532261
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
5-N-(2,6-dichloro-4-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535660
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109239364
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine (CID 104532128) is 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is GSUUAVRAJAQWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-4-18-10-5-11(9-17-8-10)19-13-7-14(20-2)12(16)6-15(13)21-3/h5-9,18-19H,4H2,1-3H3.
What are the key properties of 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 307.78 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104532128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).