5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine

C15H18ClN3O — CID 104532269

IUPAC5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C15H18ClN3O/c1-3-6-18-12-8-13(10-17-9-12)19-14-7-11(16)4-5-15(14)20-2/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeyXIEVYKRIGZBSBQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.31
Rot. Bonds6

About 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532269) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532269
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C15H18ClN3O/c1-3-6-18-12-8-13(10-17-9-12)19-14-7-11(16)4-5-15(14)20-2/h4-5,7-10,18-19H,3,6H2,1-2H3
InChIKeyXIEVYKRIGZBSBQ-UHFFFAOYSA-N
XLogP4.31
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532272
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80737026
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238810
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-N-(3-chloro-2-fluorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532112
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532269) is 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is XIEVYKRIGZBSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-6-18-12-8-13(10-17-9-12)19-14-7-11(16)4-5-15(14)20-2/h4-5,7-10,18-19H,3,6H2,1-2H3.
What are the key properties of 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 291.78 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).