4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide

C18H17N5 — CID 145422995

IUPAC4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C18H17N5/c19-18(20)15-9-7-14(8-10-15)13-23(16-5-1-3-11-21-16)17-6-2-4-12-22-17/h1-12H,13H2,(H3,19,20)
InChIKeyYCMPPJGROYYGMV-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.10
Rot. Bonds5

About 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide

4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide (PubChem CID 145422995) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
PubChem CID145422995
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(c2ccccn2)c2ccccn2)cc1
InChIInChI=1S/C18H17N5/c19-18(20)15-9-7-14(8-10-15)13-23(16-5-1-3-11-21-16)17-6-2-4-12-22-17/h1-12H,13H2,(H3,19,20)
InChIKeyYCMPPJGROYYGMV-UHFFFAOYSA-N
XLogP3.10
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
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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Related Compounds

N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 139198538
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
benzenecarboximidamide;hydron;chloride
CID 66824376
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453
6-(N-butylanilino)pyridine-3-carboximidamide
CID 64584617
4-[3-[benzyl-[3-(4-carbamimidoylphenoxy)propyl]amino]propoxy]benzenecarboximidamide
CID 127042273

Frequently Asked Questions

What is the IUPAC name of 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide (CID 145422995) is 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(c2ccccn2)c2ccccn2)cc1.
What is the InChIKey of 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide?
The InChIKey is YCMPPJGROYYGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-18(20)15-9-7-14(8-10-15)13-23(16-5-1-3-11-21-16)17-6-2-4-12-22-17/h1-12H,13H2,(H3,19,20).
What are the key properties of 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide?
4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide has a molecular weight of 303.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 145422995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).