5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine

C12H16N4 — CID 123969057

IUPAC5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
SMILES[H]/N=C(/C1=C(N)CCNC1)C1C=CN=CC1=C
InChIInChI=1S/C12H16N4/c1-8-6-15-4-2-9(8)12(14)10-7-16-5-3-11(10)13/h2,4,6,9,14,16H,1,3,5,7,13H2/b14-12+
InChIKeyDYVDXVRFVSOGRS-WYMLVPIESA-N
MW216.29 g/mol
LogP0.98
Rot. Bonds2

About 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine

5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 123969057) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID123969057
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
SMILES[H]/N=C(/C1=C(N)CCNC1)C1C=CN=CC1=C
InChIInChI=1S/C12H16N4/c1-8-6-15-4-2-9(8)12(14)10-7-16-5-3-11(10)13/h2,4,6,9,14,16H,1,3,5,7,13H2/b14-12+
InChIKeyDYVDXVRFVSOGRS-WYMLVPIESA-N
XLogP0.98
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine (CID 123969057) is 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine is [H]/N=C(/C1=C(N)CCNC1)C1C=CN=CC1=C.
What is the InChIKey of 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is DYVDXVRFVSOGRS-WYMLVPIESA-N. The full InChI is InChI=1S/C12H16N4/c1-8-6-15-4-2-9(8)12(14)10-7-16-5-3-11(10)13/h2,4,6,9,14,16H,1,3,5,7,13H2/b14-12+.
What are the key properties of 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine?
5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylidene-4H-pyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 123969057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).