N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide

C16H16IN3O2 — CID 145095861

IUPACN-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide
SMILESCc1ccc(C2(Nc3ncc(C(=O)NO)cc3I)CC2)cc1
InChIInChI=1S/C16H16IN3O2/c1-10-2-4-12(5-3-10)16(6-7-16)19-14-13(17)8-11(9-18-14)15(21)20-22/h2-5,8-9,22H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyYPUTUXZWNAKZFV-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.21
Rot. Bonds4

About N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide

N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide (PubChem CID 145095861) has the molecular formula C16H16IN3O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide
PubChem CID145095861
Molecular FormulaC16H16IN3O2
Molecular Weight409.23 g/mol
Exact Mass409.03
IUPAC NameN-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide
SMILESCc1ccc(C2(Nc3ncc(C(=O)NO)cc3I)CC2)cc1
InChIInChI=1S/C16H16IN3O2/c1-10-2-4-12(5-3-10)16(6-7-16)19-14-13(17)8-11(9-18-14)15(21)20-22/h2-5,8-9,22H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyYPUTUXZWNAKZFV-UHFFFAOYSA-N
XLogP3.21
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-5-iodo-6-[(1-phenylcyclopropyl)amino]pyridine-3-carboxamide
CID 145095862
5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide
CID 123600486
N'-(3,3-difluoroprop-1-en-2-yl)-2-[[1-(4-methylphenyl)cyclobutyl]amino]pyrimidine-5-carbohydrazide
CID 129056588
N-hydroxy-4-[(1-phenylcyclopropyl)amino]benzamide
CID 134492107
N-hydroxy-7-methyl-1,8-naphthyridine-3-carboxamide
CID 88622378
N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005584
2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane
CID 145295643
N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469324
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
N-hydroxy-3,4-diiodobenzamide
CID 130614181
1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332
ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295636

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide (CID 145095861) is N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide is Cc1ccc(C2(Nc3ncc(C(=O)NO)cc3I)CC2)cc1.
What is the InChIKey of N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide?
The InChIKey is YPUTUXZWNAKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O2/c1-10-2-4-12(5-3-10)16(6-7-16)19-14-13(17)8-11(9-18-14)15(21)20-22/h2-5,8-9,22H,6-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide?
N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide has a molecular weight of 409.23 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-iodo-6-[[1-(4-methylphenyl)cyclopropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 145095861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).