N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

C17H18N4 — CID 66413007

IUPACN-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(Cn2cc(CNC3CC3)c3cccnc32)nc1
InChIInChI=1S/C17H18N4/c1-2-8-18-15(4-1)12-21-11-13(10-20-14-6-7-14)16-5-3-9-19-17(16)21/h1-5,8-9,11,14,20H,6-7,10,12H2
InChIKeyTVIFPELMDGMARZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.73
Rot. Bonds5

About N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 66413007) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID66413007
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(Cn2cc(CNC3CC3)c3cccnc32)nc1
InChIInChI=1S/C17H18N4/c1-2-8-18-15(4-1)12-21-11-13(10-20-14-6-7-14)16-5-3-9-19-17(16)21/h1-5,8-9,11,14,20H,6-7,10,12H2
InChIKeyTVIFPELMDGMARZ-UHFFFAOYSA-N
XLogP2.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412809
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412218
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413404
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412220
N-[[1-(2-imidazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412807
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]cyclopropanamine
CID 102914709
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (CID 66413007) is N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is c1ccc(Cn2cc(CNC3CC3)c3cccnc32)nc1.
What is the InChIKey of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is TVIFPELMDGMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-8-18-15(4-1)12-21-11-13(10-20-14-6-7-14)16-5-3-9-19-17(16)21/h1-5,8-9,11,14,20H,6-7,10,12H2.
What are the key properties of N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 278.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66413007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).