4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide

C17H24N6 — CID 110919203

IUPAC4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
SMILESCc1nccn1-c1ccc(C/N=C(\N)N2CCC(C)CC2)cn1
InChIInChI=1S/C17H24N6/c1-13-5-8-22(9-6-13)17(18)21-12-15-3-4-16(20-11-15)23-10-7-19-14(23)2/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3,(H2,18,21)
InChIKeyWQVTXQJHEOHBJN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.12
Rot. Bonds3

About 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide

4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide (PubChem CID 110919203) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
PubChem CID110919203
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
SMILESCc1nccn1-c1ccc(C/N=C(\N)N2CCC(C)CC2)cn1
InChIInChI=1S/C17H24N6/c1-13-5-8-22(9-6-13)17(18)21-12-15-3-4-16(20-11-15)23-10-7-19-14(23)2/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3,(H2,18,21)
InChIKeyWQVTXQJHEOHBJN-UHFFFAOYSA-N
XLogP2.12
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide (CID 110919203) is 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide is Cc1nccn1-c1ccc(C/N=C(\N)N2CCC(C)CC2)cn1.
What is the InChIKey of 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide?
The InChIKey is WQVTXQJHEOHBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-13-5-8-22(9-6-13)17(18)21-12-15-3-4-16(20-11-15)23-10-7-19-14(23)2/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3,(H2,18,21).
What are the key properties of 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide?
4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide has a molecular weight of 312.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110919203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).