N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide

C14H12IN3O2 — CID 5335096

IUPACN-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1I
InChIInChI=1S/C14H12IN3O2/c1-20-13-6-5-10(8-11(13)15)9-17-18-14(19)12-4-2-3-7-16-12/h2-9H,1H3,(H,18,19)/b17-9+
InChIKeyNVIGYQYBQHXUCW-RQZCQDPDSA-N
MW381.17 g/mol
LogP2.46
Rot. Bonds4

About N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 5335096) has the molecular formula C14H12IN3O2 and a molecular weight of 381.17 g/mol. Its IUPAC name is N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID5335096
Molecular FormulaC14H12IN3O2
Molecular Weight381.17 g/mol
Exact Mass381.00
IUPAC NameN-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1I
InChIInChI=1S/C14H12IN3O2/c1-20-13-6-5-10(8-11(13)15)9-17-18-14(19)12-4-2-3-7-16-12/h2-9H,1H3,(H,18,19)/b17-9+
InChIKeyNVIGYQYBQHXUCW-RQZCQDPDSA-N
XLogP2.46
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 52.46
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

N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 5339727
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4143454
3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596
N-[4-[[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]carbamoyl]phenyl]pyridine-2-carboxamide
CID 155805407
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 135679036
N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015583
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 5335096) is N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide is COc1ccc(/C=N/NC(=O)c2ccccn2)cc1I.
What is the InChIKey of N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is NVIGYQYBQHXUCW-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12IN3O2/c1-20-13-6-5-10(8-11(13)15)9-17-18-14(19)12-4-2-3-7-16-12/h2-9H,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 381.17 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5335096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).