4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide

C13H22N4O2 — CID 81239862

IUPAC4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCOCCN(C)CCNC(=O)c1cnc(C)cc1N
InChIInChI=1S/C13H22N4O2/c1-10-8-12(14)11(9-16-10)13(18)15-4-5-17(2)6-7-19-3/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyNUJRNPDAJXXDSQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.28
Rot. Bonds7

About 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide

4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 81239862) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID81239862
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCOCCN(C)CCNC(=O)c1cnc(C)cc1N
InChIInChI=1S/C13H22N4O2/c1-10-8-12(14)11(9-16-10)13(18)15-4-5-17(2)6-7-19-3/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18)
InChIKeyNUJRNPDAJXXDSQ-UHFFFAOYSA-N
XLogP0.28
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide (CID 81239862) is 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide is COCCN(C)CCNC(=O)c1cnc(C)cc1N.
What is the InChIKey of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is NUJRNPDAJXXDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-8-12(14)11(9-16-10)13(18)15-4-5-17(2)6-7-19-3/h8-9H,4-7H2,1-3H3,(H2,14,16)(H,15,18).
What are the key properties of 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81239862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).