3-[(N-methylanilino)methyl]pyridine-2-carboximidamide

C14H16N4 — CID 55128400

IUPAC3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)c1ccccc1
InChIInChI=1S/C14H16N4/c1-18(12-7-3-2-4-8-12)10-11-6-5-9-17-13(11)14(15)16/h2-9H,10H2,1H3,(H3,15,16)
InChIKeyFVIMFSPLJRASQT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.00
Rot. Bonds4

About 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide

3-[(N-methylanilino)methyl]pyridine-2-carboximidamide (PubChem CID 55128400) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
PubChem CID55128400
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)c1ccccc1
InChIInChI=1S/C14H16N4/c1-18(12-7-3-2-4-8-12)10-11-6-5-9-17-13(11)14(15)16/h2-9H,10H2,1H3,(H3,15,16)
InChIKeyFVIMFSPLJRASQT-UHFFFAOYSA-N
XLogP2.00
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.00
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 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide (CID 55128400) is 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)c1ccccc1.
What is the InChIKey of 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide?
The InChIKey is FVIMFSPLJRASQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18(12-7-3-2-4-8-12)10-11-6-5-9-17-13(11)14(15)16/h2-9H,10H2,1H3,(H3,15,16).
What are the key properties of 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide?
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-methylanilino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 55128400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).