N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C13H19N3O — CID 141161029

IUPACN-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOC[C@@H](Nc1ccnc2[nH]ccc12)C(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)12(8-17-3)16-11-5-7-15-13-10(11)4-6-14-13/h4-7,9,12H,8H2,1-3H3,(H2,14,15,16)/t12-/m1/s1
InChIKeyFNXGHTZWJGQAPS-GFCCVEGCSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds5

About N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 141161029) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID141161029
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOC[C@@H](Nc1ccnc2[nH]ccc12)C(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)12(8-17-3)16-11-5-7-15-13-10(11)4-6-14-13/h4-7,9,12H,8H2,1-3H3,(H2,14,15,16)/t12-/m1/s1
InChIKeyFNXGHTZWJGQAPS-GFCCVEGCSA-N
XLogP2.65
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 141161029) is N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is COC[C@@H](Nc1ccnc2[nH]ccc12)C(C)C.
What is the InChIKey of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is FNXGHTZWJGQAPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)12(8-17-3)16-11-5-7-15-13-10(11)4-6-14-13/h4-7,9,12H,8H2,1-3H3,(H2,14,15,16)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 141161029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).