N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine

C11H12N4 — CID 90712570

IUPACN'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine
SMILES[H]/N=C/C(/C=N/C)c1cnc2[nH]ccc2c1
InChIInChI=1S/C11H12N4/c1-13-6-10(5-12)9-4-8-2-3-14-11(8)15-7-9/h2-7,10,12H,1H3,(H,14,15)/b12-5+,13-6+
InChIKeyLUHWPILBHLBSNU-BYDSPXIWSA-N
MW200.25 g/mol
LogP2.00
Rot. Bonds3

About N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine

N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine (PubChem CID 90712570) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine.

Molecular Properties

Compound NameN'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine
PubChem CID90712570
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine
SMILES[H]/N=C/C(/C=N/C)c1cnc2[nH]ccc2c1
InChIInChI=1S/C11H12N4/c1-13-6-10(5-12)9-4-8-2-3-14-11(8)15-7-9/h2-7,10,12H,1H3,(H,14,15)/b12-5+,13-6+
InChIKeyLUHWPILBHLBSNU-BYDSPXIWSA-N
XLogP2.00
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-5-yl)propan-1-amine
CID 55294161
5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
CID 160915943
4-(1-imino-3-methyliminopropan-2-yl)-2-(trifluoromethyl)benzenethiol
CID 123677809
3-amino-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanenitrile
CID 55273343
5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 67227937
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridin-5-amine
CID 172576249
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)propanoate
CID 171866256
(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
CID 22714596
5-bromo-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)silane
CID 157428785
potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
CID 71763569

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine?
The IUPAC name of N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine (CID 90712570) is N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine.
What is the SMILES notation for N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine?
The canonical SMILES for N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine is [H]/N=C/C(/C=N/C)c1cnc2[nH]ccc2c1.
What is the InChIKey of N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine?
The InChIKey is LUHWPILBHLBSNU-BYDSPXIWSA-N. The full InChI is InChI=1S/C11H12N4/c1-13-6-10(5-12)9-4-8-2-3-14-11(8)15-7-9/h2-7,10,12H,1H3,(H,14,15)/b12-5+,13-6+.
What are the key properties of N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine?
N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine has a molecular weight of 200.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)propane-1,3-diimine is sourced from PubChem (CID 90712570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).