N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine

C12H16N4 — CID 144767673

IUPACN-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine
SMILESCc1ncc(N(C)C2CNC2)c2cc[nH]c12
InChIInChI=1S/C12H16N4/c1-8-12-10(3-4-14-12)11(7-15-8)16(2)9-5-13-6-9/h3-4,7,9,13-14H,5-6H2,1-2H3
InChIKeyIUNUCSOOHCBDJR-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.28
Rot. Bonds2

About N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine

N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine (PubChem CID 144767673) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine
PubChem CID144767673
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine
SMILESCc1ncc(N(C)C2CNC2)c2cc[nH]c12
InChIInChI=1S/C12H16N4/c1-8-12-10(3-4-14-12)11(7-15-8)16(2)9-5-13-6-9/h3-4,7,9,13-14H,5-6H2,1-2H3
InChIKeyIUNUCSOOHCBDJR-UHFFFAOYSA-N
XLogP1.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine (CID 144767673) is N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine is Cc1ncc(N(C)C2CNC2)c2cc[nH]c12.
What is the InChIKey of N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
The InChIKey is IUNUCSOOHCBDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-12-10(3-4-14-12)11(7-15-8)16(2)9-5-13-6-9/h3-4,7,9,13-14H,5-6H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine?
N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-4-amine is sourced from PubChem (CID 144767673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).