ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide

C11H16N4 — CID 144934720

IUPACethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide
SMILESCC.[H]/N=C(\N)c1ccnc2[nH]c(C)cc12
InChIInChI=1S/C9H10N4.C2H6/c1-5-4-7-6(8(10)11)2-3-12-9(7)13-5;1-2/h2-4H,1H3,(H3,10,11)(H,12,13);1-2H3
InChIKeyBVHQCHNOSUMBHF-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.18
Rot. Bonds1

About ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide

ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide (PubChem CID 144934720) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide.

Molecular Properties

Compound Nameethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide
PubChem CID144934720
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Nameethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide
SMILESCC.[H]/N=C(\N)c1ccnc2[nH]c(C)cc12
InChIInChI=1S/C9H10N4.C2H6/c1-5-4-7-6(8(10)11)2-3-12-9(7)13-5;1-2/h2-4H,1H3,(H3,10,11)(H,12,13);1-2H3
InChIKeyBVHQCHNOSUMBHF-UHFFFAOYSA-N
XLogP2.18
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide 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

2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide;dihydrochloride
CID 118224918
6-methylquinoline-4-carboximidamide
CID 83677821
4-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 130121035
7-fluoroquinoline-4-carboximidamide
CID 83677826
N,N,2-trimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156690045
3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide
CID 123873719
2-methyl-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenecarboximidamide
CID 81276430
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
3-chloro-2-(2-methylimidazol-1-yl)pyridine-4-carboximidamide
CID 107060421
2-methyl-6-oxo-1H-pyridine-4-carboximidamide
CID 68873396
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
CID 19988643
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide?
The IUPAC name of ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide (CID 144934720) is ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide.
What is the SMILES notation for ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide?
The canonical SMILES for ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide is CC.[H]/N=C(\N)c1ccnc2[nH]c(C)cc12.
What is the InChIKey of ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide?
The InChIKey is BVHQCHNOSUMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C2H6/c1-5-4-7-6(8(10)11)2-3-12-9(7)13-5;1-2/h2-4H,1H3,(H3,10,11)(H,12,13);1-2H3.
What are the key properties of ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide?
ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide has a molecular weight of 204.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboximidamide is sourced from PubChem (CID 144934720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).