2-(propan-2-ylamino)pyridine-3-carboximidamide

C9H14N4 — CID 22416553

IUPAC2-(propan-2-ylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1NC(C)C
InChIInChI=1S/C9H14N4/c1-6(2)13-9-7(8(10)11)4-3-5-12-9/h3-6H,1-2H3,(H3,10,11)(H,12,13)
InChIKeyIIPJZACERWBNJS-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.19
Rot. Bonds3

About 2-(propan-2-ylamino)pyridine-3-carboximidamide

2-(propan-2-ylamino)pyridine-3-carboximidamide (PubChem CID 22416553) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(propan-2-ylamino)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)pyridine-3-carboximidamide
PubChem CID22416553
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-(propan-2-ylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1NC(C)C
InChIInChI=1S/C9H14N4/c1-6(2)13-9-7(8(10)11)4-3-5-12-9/h3-6H,1-2H3,(H3,10,11)(H,12,13)
InChIKeyIIPJZACERWBNJS-UHFFFAOYSA-N
XLogP1.19
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)pyridine-3-carboximidamide?
The IUPAC name of 2-(propan-2-ylamino)pyridine-3-carboximidamide (CID 22416553) is 2-(propan-2-ylamino)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(propan-2-ylamino)pyridine-3-carboximidamide?
The canonical SMILES for 2-(propan-2-ylamino)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1NC(C)C.
What is the InChIKey of 2-(propan-2-ylamino)pyridine-3-carboximidamide?
The InChIKey is IIPJZACERWBNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-6(2)13-9-7(8(10)11)4-3-5-12-9/h3-6H,1-2H3,(H3,10,11)(H,12,13).
What are the key properties of 2-(propan-2-ylamino)pyridine-3-carboximidamide?
2-(propan-2-ylamino)pyridine-3-carboximidamide has a molecular weight of 178.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)pyridine-3-carboximidamide is sourced from PubChem (CID 22416553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).