N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide

C13H10IN3O — CID 1379950

IUPACN-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cccc(I)c1)c1ccncc1
InChIInChI=1S/C13H10IN3O/c14-12-3-1-2-10(8-12)9-16-17-13(18)11-4-6-15-7-5-11/h1-9H,(H,17,18)
InChIKeyLLGKFIPFEBMYNR-UHFFFAOYSA-N
MW351.15 g/mol
LogP2.45
Rot. Bonds3

About N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide

N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 1379950) has the molecular formula C13H10IN3O and a molecular weight of 351.15 g/mol. Its IUPAC name is N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID1379950
Molecular FormulaC13H10IN3O
Molecular Weight351.15 g/mol
Exact Mass350.99
IUPAC NameN-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cccc(I)c1)c1ccncc1
InChIInChI=1S/C13H10IN3O/c14-12-3-1-2-10(8-12)9-16-17-13(18)11-4-6-15-7-5-11/h1-9H,(H,17,18)
InChIKeyLLGKFIPFEBMYNR-UHFFFAOYSA-N
XLogP2.45
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5499709
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-[3-(thietan-3-yloxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 73254540
N-[2-[[(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 66637933
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(Z)-(3-iodophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 41065971

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide (CID 1379950) is N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1cccc(I)c1)c1ccncc1.
What is the InChIKey of N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is LLGKFIPFEBMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O/c14-12-3-1-2-10(8-12)9-16-17-13(18)11-4-6-15-7-5-11/h1-9H,(H,17,18).
What are the key properties of N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 351.15 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 1379950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).