4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride

C12H14Cl2N6 — CID 19988643

IUPAC4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cc(-c2ccnc(/C(N)=N/[H])c2)ccn1
InChIInChI=1S/C12H12N6.2ClH/c13-11(14)9-5-7(1-3-17-9)8-2-4-18-10(6-8)12(15)16;;/h1-6H,(H3,13,14)(H3,15,16);2*1H
InChIKeyMLOIPLHGADUKCO-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.56
Rot. Bonds3

About 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride

4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride (PubChem CID 19988643) has the molecular formula C12H14Cl2N6 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
PubChem CID19988643
Molecular FormulaC12H14Cl2N6
Molecular Weight313.19 g/mol
Exact Mass312.07
IUPAC Name4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cc(-c2ccnc(/C(N)=N/[H])c2)ccn1
InChIInChI=1S/C12H12N6.2ClH/c13-11(14)9-5-7(1-3-17-9)8-2-4-18-10(6-8)12(15)16;;/h1-6H,(H3,13,14)(H3,15,16);2*1H
InChIKeyMLOIPLHGADUKCO-UHFFFAOYSA-N
XLogP1.56
TPSA125.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.56
H-Bond Donors ≤ 54
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

4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-methanimidoylpyridine-2-carboximidamide
CID 57062712
4-prop-1-enylpyridine-2-carboximidamide;hydrochloride
CID 168731037
4-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]pyridine-2-carboximidamide;trihydrochloride
CID 53358800
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834
4-(3,4-dimethylpyrrolidin-1-yl)pyridine-2-carboximidamide
CID 79188815
4-morpholin-4-ylpyridine-2-carboximidamide
CID 62924403
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
4-(pyrimidin-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881655
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride?
The IUPAC name of 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride (CID 19988643) is 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride.
What is the SMILES notation for 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride?
The canonical SMILES for 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cc(-c2ccnc(/C(N)=N/[H])c2)ccn1.
What is the InChIKey of 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride?
The InChIKey is MLOIPLHGADUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6.2ClH/c13-11(14)9-5-7(1-3-17-9)8-2-4-18-10(6-8)12(15)16;;/h1-6H,(H3,13,14)(H3,15,16);2*1H.
What are the key properties of 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride?
4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride has a molecular weight of 313.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamimidoyl-4-pyridinyl)pyridine-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 19988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).