4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine

C14H17N3O2S — CID 79175645

IUPAC4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
SMILESCc1cc(NCc2ccc(S(C)(=O)=O)cc2)ncc1N
InChIInChI=1S/C14H17N3O2S/c1-10-7-14(17-9-13(10)15)16-8-11-3-5-12(6-4-11)20(2,18)19/h3-7,9H,8,15H2,1-2H3,(H,16,17)
InChIKeySDFYUORDFDGVKC-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.99
Rot. Bonds4

About 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine

4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine (PubChem CID 79175645) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
PubChem CID79175645
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
SMILESCc1cc(NCc2ccc(S(C)(=O)=O)cc2)ncc1N
InChIInChI=1S/C14H17N3O2S/c1-10-7-14(17-9-13(10)15)16-8-11-3-5-12(6-4-11)20(2,18)19/h3-7,9H,8,15H2,1-2H3,(H,16,17)
InChIKeySDFYUORDFDGVKC-UHFFFAOYSA-N
XLogP1.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(4-ethylphenyl)methyl]-4-methylpyridine-2,5-diamine
CID 106899259
N-(5-amino-4-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 61292977
5-methyl-N-[(4-methylsulfonylphenyl)methyl]pyridazin-3-amine
CID 106549687
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 61293532
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
4-methyl-2-N-(1,2-oxazol-5-ylmethyl)pyridine-2,5-diamine
CID 106414445
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
2,5-dimethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80795260
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine (CID 79175645) is 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine is Cc1cc(NCc2ccc(S(C)(=O)=O)cc2)ncc1N.
What is the InChIKey of 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine?
The InChIKey is SDFYUORDFDGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-14(17-9-13(10)15)16-8-11-3-5-12(6-4-11)20(2,18)19/h3-7,9H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine?
4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine has a molecular weight of 291.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 79175645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).