6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide

C12H20N4O — CID 115303139

IUPAC6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
SMILESCNCC(C)CNc1nc(C)ccc1C(N)=O
InChIInChI=1S/C12H20N4O/c1-8(6-14-3)7-15-12-10(11(13)17)5-4-9(2)16-12/h4-5,8,14H,6-7H2,1-3H3,(H2,13,17)(H,15,16)
InChIKeyAERTUXBAVSZSHQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.76
Rot. Bonds6

About 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide

6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide (PubChem CID 115303139) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
PubChem CID115303139
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide
SMILESCNCC(C)CNc1nc(C)ccc1C(N)=O
InChIInChI=1S/C12H20N4O/c1-8(6-14-3)7-15-12-10(11(13)17)5-4-9(2)16-12/h4-5,8,14H,6-7H2,1-3H3,(H2,13,17)(H,15,16)
InChIKeyAERTUXBAVSZSHQ-UHFFFAOYSA-N
XLogP0.76
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide (CID 115303139) is 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide is CNCC(C)CNc1nc(C)ccc1C(N)=O.
What is the InChIKey of 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide?
The InChIKey is AERTUXBAVSZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(6-14-3)7-15-12-10(11(13)17)5-4-9(2)16-12/h4-5,8,14H,6-7H2,1-3H3,(H2,13,17)(H,15,16).
What are the key properties of 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide?
6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 115303139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).