5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine

C16H21N3O — CID 104532272

IUPAC5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C16H21N3O/c1-4-7-18-13-9-14(11-17-10-13)19-15-8-12(2)5-6-16(15)20-3/h5-6,8-11,18-19H,4,7H2,1-3H3
InChIKeyVLTCJAWWJUVEBW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.96
Rot. Bonds6

About 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine

5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532272) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532272
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C16H21N3O/c1-4-7-18-13-9-14(11-17-10-13)19-15-8-12(2)5-6-16(15)20-3/h5-6,8-11,18-19H,4,7H2,1-3H3
InChIKeyVLTCJAWWJUVEBW-UHFFFAOYSA-N
XLogP3.96
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-N-(2-fluoro-5-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532100
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
4-N-(2-methoxy-5-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80736748
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-N-(5-chloro-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532088
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
5-N-(4-fluoro-2-iodophenyl)-3-N-propylpyridine-3,5-diamine
CID 104535267
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-diamine
CID 104532161
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244246
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine (CID 104532272) is 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(Nc2cc(C)ccc2OC)c1.
What is the InChIKey of 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is VLTCJAWWJUVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-7-18-13-9-14(11-17-10-13)19-15-8-12(2)5-6-16(15)20-3/h5-6,8-11,18-19H,4,7H2,1-3H3.
What are the key properties of 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine?
5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxy-5-methylphenyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).