2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide

C15H16ClN5 — CID 89385094

IUPAC2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide
SMILESC=C(N)Nc1nc(-c2ccccc2Cl)ccc1/C(N)=N/C
InChIInChI=1S/C15H16ClN5/c1-9(17)20-15-11(14(18)19-2)7-8-13(21-15)10-5-3-4-6-12(10)16/h3-8H,1,17H2,2H3,(H2,18,19)(H,20,21)
InChIKeyDHOLGUGIVSFEKL-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.58
Rot. Bonds4

About 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide

2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide (PubChem CID 89385094) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide
PubChem CID89385094
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide
SMILESC=C(N)Nc1nc(-c2ccccc2Cl)ccc1/C(N)=N/C
InChIInChI=1S/C15H16ClN5/c1-9(17)20-15-11(14(18)19-2)7-8-13(21-15)10-5-3-4-6-12(10)16/h3-8H,1,17H2,2H3,(H2,18,19)(H,20,21)
InChIKeyDHOLGUGIVSFEKL-UHFFFAOYSA-N
XLogP2.58
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.58
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide (CID 89385094) is 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide is C=C(N)Nc1nc(-c2ccccc2Cl)ccc1/C(N)=N/C.
What is the InChIKey of 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide?
The InChIKey is DHOLGUGIVSFEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-9(17)20-15-11(14(18)19-2)7-8-13(21-15)10-5-3-4-6-12(10)16/h3-8H,1,17H2,2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide?
2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide has a molecular weight of 301.78 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethenylamino)-6-(2-chlorophenyl)-N'-methylpyridine-3-carboximidamide is sourced from PubChem (CID 89385094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).