6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C16H28N4O — CID 81451106

IUPAC6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC1CN(c2ccc(N)c(OC(C)(C)C)n2)CC1N(C)C
InChIInChI=1S/C16H28N4O/c1-11-9-20(10-13(11)19(5)6)14-8-7-12(17)15(18-14)21-16(2,3)4/h7-8,11,13H,9-10,17H2,1-6H3
InChIKeyAZCYXNOTAQDXAN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.23
Rot. Bonds3

About 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 81451106) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID81451106
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC1CN(c2ccc(N)c(OC(C)(C)C)n2)CC1N(C)C
InChIInChI=1S/C16H28N4O/c1-11-9-20(10-13(11)19(5)6)14-8-7-12(17)15(18-14)21-16(2,3)4/h7-8,11,13H,9-10,17H2,1-6H3
InChIKeyAZCYXNOTAQDXAN-UHFFFAOYSA-N
XLogP2.23
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 81451106) is 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC1CN(c2ccc(N)c(OC(C)(C)C)n2)CC1N(C)C.
What is the InChIKey of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is AZCYXNOTAQDXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11-9-20(10-13(11)19(5)6)14-8-7-12(17)15(18-14)21-16(2,3)4/h7-8,11,13H,9-10,17H2,1-6H3.
What are the key properties of 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 292.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 81451106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).