6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride

C15H15Cl2N7O — CID 90664635

IUPAC6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/[H])ccn3)on2)nc1
InChIInChI=1S/C15H13N7O.2ClH/c16-14(17)8-3-4-20-12(5-8)13-6-11(22-23-13)10-2-1-9(7-21-10)15(18)19;;/h1-7H,(H3,16,17)(H3,18,19);2*1H
InChIKeyDVDOPEXBRHPCJP-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.21
Rot. Bonds4

About 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride

6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride (PubChem CID 90664635) has the molecular formula C15H15Cl2N7O and a molecular weight of 380.24 g/mol. Its IUPAC name is 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
PubChem CID90664635
Molecular FormulaC15H15Cl2N7O
Molecular Weight380.24 g/mol
Exact Mass379.07
IUPAC Name6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/[H])ccn3)on2)nc1
InChIInChI=1S/C15H13N7O.2ClH/c16-14(17)8-3-4-20-12(5-8)13-6-11(22-23-13)10-2-1-9(7-21-10)15(18)19;;/h1-7H,(H3,16,17)(H3,18,19);2*1H
InChIKeyDVDOPEXBRHPCJP-UHFFFAOYSA-N
XLogP2.21
TPSA151.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Pyridin-3-ylisoxazol-5-YL)methanamine
CID 11993865
5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
5-[5-(4-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665015
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665126
5-[3-(6-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-2-carboximidamide;dihydrochloride
CID 90665246
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
5-[5-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-3-yl]pyridine-2-carboximidamide;hydrochloride
CID 76317404
2-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide;hydrochloride
CID 76335590
6-[3-(5-Carbamimidoyl-2-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664373
6-[3-(3-Carbamimidoylphenyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664374
5-[5-(3-Carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664513
5-[3-(5-Carbamimidoyl-3-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664514

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride?
The IUPAC name of 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride (CID 90664635) is 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride.
What is the SMILES notation for 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride?
The canonical SMILES for 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/[H])ccn3)on2)nc1.
What is the InChIKey of 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride?
The InChIKey is DVDOPEXBRHPCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O.2ClH/c16-14(17)8-3-4-20-12(5-8)13-6-11(22-23-13)10-2-1-9(7-21-10)15(18)19;;/h1-7H,(H3,16,17)(H3,18,19);2*1H.
What are the key properties of 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride?
6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride has a molecular weight of 380.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-3-yl]pyridine-3-carboximidamide;dihydrochloride is sourced from PubChem (CID 90664635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).