2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine

C13H22N4 — CID 113367781

IUPAC2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine
SMILESCNc1cc(N(C)C2CCCN(C)C2)ccn1
InChIInChI=1S/C13H22N4/c1-14-13-9-11(6-7-15-13)17(3)12-5-4-8-16(2)10-12/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,14,15)
InChIKeyRSQWXLKCESKMNA-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.65
Rot. Bonds3

About 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine

2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine (PubChem CID 113367781) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine
PubChem CID113367781
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine
SMILESCNc1cc(N(C)C2CCCN(C)C2)ccn1
InChIInChI=1S/C13H22N4/c1-14-13-9-11(6-7-15-13)17(3)12-5-4-8-16(2)10-12/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,14,15)
InChIKeyRSQWXLKCESKMNA-UHFFFAOYSA-N
XLogP1.65
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80957762
4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957454
4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832213
2-[methyl-(1-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
CID 62547856
3-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 105389734
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
(3S)-N-(3,4-dichlorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 59726187
2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832495
2-N,4-N-dimethyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 113367846
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine
CID 113367845
6-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80832211
6-hydrazinyl-N-methyl-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 80919138

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine (CID 113367781) is 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine is CNc1cc(N(C)C2CCCN(C)C2)ccn1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine?
The InChIKey is RSQWXLKCESKMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-13-9-11(6-7-15-13)17(3)12-5-4-8-16(2)10-12/h6-7,9,12H,4-5,8,10H2,1-3H3,(H,14,15).
What are the key properties of 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 113367781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).