ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide

C16H22N4 — CID 142200342

IUPACethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide
SMILESCC.[H]/N=C(\N)CCc1ccc(-c2ccc(C)cn2)nc1
InChIInChI=1S/C14H16N4.C2H6/c1-10-2-5-12(17-8-10)13-6-3-11(9-18-13)4-7-14(15)16;1-2/h2-3,5-6,8-9H,4,7H2,1H3,(H3,15,16);1-2H3
InChIKeyROWWOJDKFHMJJL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds4

About ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide

ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide (PubChem CID 142200342) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide.

Molecular Properties

Compound Nameethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide
PubChem CID142200342
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Nameethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide
SMILESCC.[H]/N=C(\N)CCc1ccc(-c2ccc(C)cn2)nc1
InChIInChI=1S/C14H16N4.C2H6/c1-10-2-5-12(17-8-10)13-6-3-11(9-18-13)4-7-14(15)16;1-2/h2-3,5-6,8-9H,4,7H2,1H3,(H3,15,16);1-2H3
InChIKeyROWWOJDKFHMJJL-UHFFFAOYSA-N
XLogP3.35
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
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 ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide?
The IUPAC name of ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide (CID 142200342) is ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide.
What is the SMILES notation for ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide?
The canonical SMILES for ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide is CC.[H]/N=C(\N)CCc1ccc(-c2ccc(C)cn2)nc1.
What is the InChIKey of ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide?
The InChIKey is ROWWOJDKFHMJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4.C2H6/c1-10-2-5-12(17-8-10)13-6-3-11(9-18-13)4-7-14(15)16;1-2/h2-3,5-6,8-9H,4,7H2,1H3,(H3,15,16);1-2H3.
What are the key properties of ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide?
ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide has a molecular weight of 270.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide is sourced from PubChem (CID 142200342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).