N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide

C9H10N4 — CID 167166647

IUPACN'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide
SMILESC=N/C=N/C(=N\C)c1ccncc1
InChIInChI=1S/C9H10N4/c1-10-7-13-9(11-2)8-3-5-12-6-4-8/h3-7H,1H2,2H3/b11-9-,13-7+
InChIKeyGISWCFULINMKEO-GHCBDELPSA-N
MW174.21 g/mol
LogP1.19
Rot. Bonds2

About N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide

N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide (PubChem CID 167166647) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide
PubChem CID167166647
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide
SMILESC=N/C=N/C(=N\C)c1ccncc1
InChIInChI=1S/C9H10N4/c1-10-7-13-9(11-2)8-3-5-12-6-4-8/h3-7H,1H2,2H3/b11-9-,13-7+
InChIKeyGISWCFULINMKEO-GHCBDELPSA-N
XLogP1.19
TPSA49.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide?
The IUPAC name of N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide (CID 167166647) is N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide?
The canonical SMILES for N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide is C=N/C=N/C(=N\C)c1ccncc1.
What is the InChIKey of N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide?
The InChIKey is GISWCFULINMKEO-GHCBDELPSA-N. The full InChI is InChI=1S/C9H10N4/c1-10-7-13-9(11-2)8-3-5-12-6-4-8/h3-7H,1H2,2H3/b11-9-,13-7+.
What are the key properties of N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide?
N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide has a molecular weight of 174.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide is sourced from PubChem (CID 167166647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).