2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine

C17H23N3O — CID 63405892

IUPAC2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine
SMILESCc1cc(C)cc(N(C)c2ccc(N)c(OC(C)C)n2)c1
InChIInChI=1S/C17H23N3O/c1-11(2)21-17-15(18)6-7-16(19-17)20(5)14-9-12(3)8-13(4)10-14/h6-11H,18H2,1-5H3
InChIKeyQCNVACJARGWDMM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.84
Rot. Bonds4

About 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine

2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 63405892) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID63405892
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine
SMILESCc1cc(C)cc(N(C)c2ccc(N)c(OC(C)C)n2)c1
InChIInChI=1S/C17H23N3O/c1-11(2)21-17-15(18)6-7-16(19-17)20(5)14-9-12(3)8-13(4)10-14/h6-11H,18H2,1-5H3
InChIKeyQCNVACJARGWDMM-UHFFFAOYSA-N
XLogP3.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10093032
1-[6-(1-Phenylethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10024596
(2S)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10251058
(3S)-3-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10409346
(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10454284
2-Methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 17968605
3-Methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 17968606
6-(benzyloxy)-N2-(2-fluorophenyl)pyridin-2,3-diamine
CID 67313485
6-[(3R)-1-benzyl-3-methylpiperidin-4-yl]oxy-N-[1-(4-fluorophenyl)ethenyl]pyridin-2-amine
CID 68080100
6-(3-fluoro-4-methylphenoxy)-N2-methylpyridine-2,3-diamine
CID 68661487
1-N'-[4-(1,1-difluoroethyl)phenyl]-1-N'-methyl-1-N-[6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-2-pyridinyl]ethene-1,1-diamine
CID 89190966
2-N-[(4-fluorophenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 113286374

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine (CID 63405892) is 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine is Cc1cc(C)cc(N(C)c2ccc(N)c(OC(C)C)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is QCNVACJARGWDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)21-17-15(18)6-7-16(19-17)20(5)14-9-12(3)8-13(4)10-14/h6-11H,18H2,1-5H3.
What are the key properties of 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine?
2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-2-N-methyl-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 63405892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).