N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide

C12H10IN3O2 — CID 1244708

IUPACN-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(I)o2)cn1
InChIInChI=1S/C12H10IN3O2/c1-8-2-3-9(6-14-8)12(17)16-15-7-10-4-5-11(13)18-10/h2-7H,1H3,(H,16,17)
InChIKeyUZXRBYUXOCXKAH-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.35
Rot. Bonds3

About N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 1244708) has the molecular formula C12H10IN3O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID1244708
Molecular FormulaC12H10IN3O2
Molecular Weight355.14 g/mol
Exact Mass354.98
IUPAC NameN-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(I)o2)cn1
InChIInChI=1S/C12H10IN3O2/c1-8-2-3-9(6-14-8)12(17)16-15-7-10-4-5-11(13)18-10/h2-7H,1H3,(H,16,17)
InChIKeyUZXRBYUXOCXKAH-UHFFFAOYSA-N
XLogP2.35
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6863548
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1390262
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
CID 935068

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 1244708) is N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NN=Cc2ccc(I)o2)cn1.
What is the InChIKey of N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is UZXRBYUXOCXKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O2/c1-8-2-3-9(6-14-8)12(17)16-15-7-10-4-5-11(13)18-10/h2-7H,1H3,(H,16,17).
What are the key properties of N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 355.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 1244708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).