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

C13H22N4O — CID 113286507

IUPAC6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2CCCN(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-17-7-3-4-10(9-17)8-15-13-11(14)5-6-12(16-13)18-2/h5-6,10H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeySEUJWZISFHHDMI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.43
Rot. Bonds4

About 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine

6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine (PubChem CID 113286507) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
PubChem CID113286507
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2CCCN(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-17-7-3-4-10(9-17)8-15-13-11(14)5-6-12(16-13)18-2/h5-6,10H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeySEUJWZISFHHDMI-UHFFFAOYSA-N
XLogP1.43
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 81132211
6-methoxy-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2,3-diamine
CID 115320664
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine
CID 113286528
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
6-methoxy-2-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-2,3-diamine
CID 115320489
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
6-chloro-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,3-diamine
CID 113316874
5-methyl-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 66279532
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
2-N-(1-ethylpiperidin-3-yl)-6-methoxypyridine-2,3-diamine
CID 113286474
2-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892559

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine (CID 113286507) is 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine is COc1ccc(N)c(NCC2CCCN(C)C2)n1.
What is the InChIKey of 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
The InChIKey is SEUJWZISFHHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-7-3-4-10(9-17)8-15-13-11(14)5-6-12(16-13)18-2/h5-6,10H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine?
6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 113286507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).