(4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide

C14H22ClN5 — CID 170279247

IUPAC(4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide
SMILESCC1=C/C(=C(/N)Cl)C(/C(N)=N/C2CCCN(C)C2)=CN1
InChIInChI=1S/C14H22ClN5/c1-9-6-11(13(15)16)12(7-18-9)14(17)19-10-4-3-5-20(2)8-10/h6-7,10,18H,3-5,8,16H2,1-2H3,(H2,17,19)/b13-11-
InChIKeyPJVFEIFDDKQFEL-QBFSEMIESA-N
MW295.82 g/mol
LogP1.24
Rot. Bonds2

About (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide

(4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide (PubChem CID 170279247) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name(4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide
PubChem CID170279247
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name(4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide
SMILESCC1=C/C(=C(/N)Cl)C(/C(N)=N/C2CCCN(C)C2)=CN1
InChIInChI=1S/C14H22ClN5/c1-9-6-11(13(15)16)12(7-18-9)14(17)19-10-4-3-5-20(2)8-10/h6-7,10,18H,3-5,8,16H2,1-2H3,(H2,17,19)/b13-11-
InChIKeyPJVFEIFDDKQFEL-QBFSEMIESA-N
XLogP1.24
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide?
The IUPAC name of (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide (CID 170279247) is (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide.
What is the SMILES notation for (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide?
The canonical SMILES for (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide is CC1=C/C(=C(/N)Cl)C(/C(N)=N/C2CCCN(C)C2)=CN1.
What is the InChIKey of (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide?
The InChIKey is PJVFEIFDDKQFEL-QBFSEMIESA-N. The full InChI is InChI=1S/C14H22ClN5/c1-9-6-11(13(15)16)12(7-18-9)14(17)19-10-4-3-5-20(2)8-10/h6-7,10,18H,3-5,8,16H2,1-2H3,(H2,17,19)/b13-11-.
What are the key properties of (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide?
(4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide has a molecular weight of 295.82 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[amino(chloro)methylidene]-6-methyl-N'-(1-methylpiperidin-3-yl)-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 170279247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).