N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide

C24H18N10O — CID 56675391

IUPACN'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide
SMILESN/C(=N\c1ncc(-c2ccc(-c3cnc(/N=C(\N)c4ccccn4)nc3)o2)cn1)c1ccccn1
InChIInChI=1S/C24H18N10O/c25-21(17-5-1-3-9-27-17)33-23-29-11-15(12-30-23)19-7-8-20(35-19)16-13-31-24(32-14-16)34-22(26)18-6-2-4-10-28-18/h1-14H,(H2,25,29,30,33)(H2,26,31,32,34)
InChIKeyHXVMFEXSMFPZKT-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.06
Rot. Bonds6

About N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide

N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide (PubChem CID 56675391) has the molecular formula C24H18N10O and a molecular weight of 462.48 g/mol. Its IUPAC name is N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide
PubChem CID56675391
Molecular FormulaC24H18N10O
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC NameN'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide
SMILESN/C(=N\c1ncc(-c2ccc(-c3cnc(/N=C(\N)c4ccccn4)nc3)o2)cn1)c1ccccn1
InChIInChI=1S/C24H18N10O/c25-21(17-5-1-3-9-27-17)33-23-29-11-15(12-30-23)19-7-8-20(35-19)16-13-31-24(32-14-16)34-22(26)18-6-2-4-10-28-18/h1-14H,(H2,25,29,30,33)(H2,26,31,32,34)
InChIKeyHXVMFEXSMFPZKT-UHFFFAOYSA-N
XLogP3.06
TPSA167.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide?
The IUPAC name of N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide (CID 56675391) is N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide?
The canonical SMILES for N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide is N/C(=N\c1ncc(-c2ccc(-c3cnc(/N=C(\N)c4ccccn4)nc3)o2)cn1)c1ccccn1.
What is the InChIKey of N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide?
The InChIKey is HXVMFEXSMFPZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N10O/c25-21(17-5-1-3-9-27-17)33-23-29-11-15(12-30-23)19-7-8-20(35-19)16-13-31-24(32-14-16)34-22(26)18-6-2-4-10-28-18/h1-14H,(H2,25,29,30,33)(H2,26,31,32,34).
What are the key properties of N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide?
N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide has a molecular weight of 462.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[5-[2-[(Z)-[amino(pyridin-2-yl)methylidene]amino]pyrimidin-5-yl]furan-2-yl]pyrimidin-2-yl]pyridine-2-carboximidamide is sourced from PubChem (CID 56675391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).