4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide

C19H15IN4O2 — CID 173382990

IUPAC4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
SMILESNC(=NO)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H15IN4O2/c20-16-9-8-14(11-15(16)17-3-1-2-10-22-17)23-19(25)13-6-4-12(5-7-13)18(21)24-26/h1-11,26H,(H2,21,24)(H,23,25)
InChIKeyKQOOXZUHHLZIKF-UHFFFAOYSA-N
MW458.26 g/mol
LogP3.70
Rot. Bonds4

About 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide

4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide (PubChem CID 173382990) has the molecular formula C19H15IN4O2 and a molecular weight of 458.26 g/mol. Its IUPAC name is 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
PubChem CID173382990
Molecular FormulaC19H15IN4O2
Molecular Weight458.26 g/mol
Exact Mass458.02
IUPAC Name4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
SMILESNC(=NO)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H15IN4O2/c20-16-9-8-14(11-15(16)17-3-1-2-10-22-17)23-19(25)13-6-4-12(5-7-13)18(21)24-26/h1-11,26H,(H2,21,24)(H,23,25)
InChIKeyKQOOXZUHHLZIKF-UHFFFAOYSA-N
XLogP3.70
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.26
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 158716830
N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 70953926
4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
CID 70953951
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
2-chloro-N-(4-iodo-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide
CID 70797621
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide
CID 58614829
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-iodophenyl)benzamide
CID 43332947
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749

Frequently Asked Questions

What is the IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide (CID 173382990) is 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide is NC(=NO)c1ccc(C(=O)Nc2ccc(I)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
The InChIKey is KQOOXZUHHLZIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O2/c20-16-9-8-14(11-15(16)17-3-1-2-10-22-17)23-19(25)13-6-4-12(5-7-13)18(21)24-26/h1-11,26H,(H2,21,24)(H,23,25).
What are the key properties of 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide has a molecular weight of 458.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 173382990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).