N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide

C14H12IN3O — CID 9059749

IUPACN-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1ccc(I)cc1
InChIInChI=1S/C14H12IN3O/c1-10(11-4-6-13(15)7-5-11)17-18-14(19)12-3-2-8-16-9-12/h2-9H,1H3,(H,18,19)/b17-10-
InChIKeyFILDCMRNHYQWRG-YVLHZVERSA-N
MW365.17 g/mol
LogP2.84
Rot. Bonds3

About N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 9059749) has the molecular formula C14H12IN3O and a molecular weight of 365.17 g/mol. Its IUPAC name is N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID9059749
Molecular FormulaC14H12IN3O
Molecular Weight365.17 g/mol
Exact Mass365.00
IUPAC NameN-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1cccnc1)c1ccc(I)cc1
InChIInChI=1S/C14H12IN3O/c1-10(11-4-6-13(15)7-5-11)17-18-14(19)12-3-2-8-16-9-12/h2-9H,1H3,(H,18,19)/b17-10-
InChIKeyFILDCMRNHYQWRG-YVLHZVERSA-N
XLogP2.84
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 52.84
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-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6091313
N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 3265838
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide (CID 9059749) is N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1cccnc1)c1ccc(I)cc1.
What is the InChIKey of N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is FILDCMRNHYQWRG-YVLHZVERSA-N. The full InChI is InChI=1S/C14H12IN3O/c1-10(11-4-6-13(15)7-5-11)17-18-14(19)12-3-2-8-16-9-12/h2-9H,1H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 365.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 9059749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).