N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine

C12H17N3 — CID 143603147

IUPACN-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine
SMILESCCC(CNC)c1cc2cccnc2[nH]1
InChIInChI=1S/C12H17N3/c1-3-9(8-13-2)11-7-10-5-4-6-14-12(10)15-11/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyJWCBFDOGIODZDX-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.28
Rot. Bonds4

About N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine

N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine (PubChem CID 143603147) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine
PubChem CID143603147
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine
SMILESCCC(CNC)c1cc2cccnc2[nH]1
InChIInChI=1S/C12H17N3/c1-3-9(8-13-2)11-7-10-5-4-6-14-12(10)15-11/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyJWCBFDOGIODZDX-UHFFFAOYSA-N
XLogP2.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine (CID 143603147) is N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine is CCC(CNC)c1cc2cccnc2[nH]1.
What is the InChIKey of N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
The InChIKey is JWCBFDOGIODZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-9(8-13-2)11-7-10-5-4-6-14-12(10)15-11/h4-7,9,13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine?
N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)butan-1-amine is sourced from PubChem (CID 143603147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).