5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine

C13H22N4 — CID 66279532

IUPAC5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
SMILESCc1cnc(NCC2CCCN(C)C2)c(N)c1
InChIInChI=1S/C13H22N4/c1-10-6-12(14)13(15-7-10)16-8-11-4-3-5-17(2)9-11/h6-7,11H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyIWAVCPPTUCJEAE-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine

5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine (PubChem CID 66279532) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
PubChem CID66279532
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
SMILESCc1cnc(NCC2CCCN(C)C2)c(N)c1
InChIInChI=1S/C13H22N4/c1-10-6-12(14)13(15-7-10)16-8-11-4-3-5-17(2)9-11/h6-7,11H,3-5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyIWAVCPPTUCJEAE-UHFFFAOYSA-N
XLogP1.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,5-diamine
CID 55080788
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 81132211
[2-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 66278240
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
3-methyl-5-N-[(1-methylpiperidin-3-yl)methyl]isoquinoline-5,8-diamine
CID 102713266
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
CID 80596479

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine (CID 66279532) is 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine is Cc1cnc(NCC2CCCN(C)C2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The InChIKey is IWAVCPPTUCJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-6-12(14)13(15-7-10)16-8-11-4-3-5-17(2)9-11/h6-7,11H,3-5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 66279532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).