3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C14H23N5 — CID 79287858

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CC(C)(C)CN(C)C
InChIInChI=1S/C14H23N5/c1-10-6-7-16-12-11(10)17-13(15)19(12)9-14(2,3)8-18(4)5/h6-7H,8-9H2,1-5H3,(H2,15,17)
InChIKeyPPSBQJJGEAXEFN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.91
Rot. Bonds4

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79287858) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79287858
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CC(C)(C)CN(C)C
InChIInChI=1S/C14H23N5/c1-10-6-7-16-12-11(10)17-13(15)19(12)9-14(2,3)8-18(4)5/h6-7H,8-9H2,1-5H3,(H2,15,17)
InChIKeyPPSBQJJGEAXEFN-UHFFFAOYSA-N
XLogP1.91
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79287858) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2CC(C)(C)CN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is PPSBQJJGEAXEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10-6-7-16-12-11(10)17-13(15)19(12)9-14(2,3)8-18(4)5/h6-7H,8-9H2,1-5H3,(H2,15,17).
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79287858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).