4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C18H21IN4O2 — CID 171622667

IUPAC4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1nccc(I)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H21IN4O2/c1-22-9-11-23(12-10-22)14-5-3-13(4-6-14)21-17(24)16-15(19)7-8-20-18(16)25-2/h3-8H,9-12H2,1-2H3,(H,21,24)
InChIKeyZMLFJGDXHOOBFO-UHFFFAOYSA-N
MW452.30 g/mol
LogP2.70
Rot. Bonds4

About 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 171622667) has the molecular formula C18H21IN4O2 and a molecular weight of 452.30 g/mol. Its IUPAC name is 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID171622667
Molecular FormulaC18H21IN4O2
Molecular Weight452.30 g/mol
Exact Mass452.07
IUPAC Name4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1nccc(I)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H21IN4O2/c1-22-9-11-23(12-10-22)14-5-3-13(4-6-14)21-17(24)16-15(19)7-8-20-18(16)25-2/h3-8H,9-12H2,1-2H3,(H,21,24)
InChIKeyZMLFJGDXHOOBFO-UHFFFAOYSA-N
XLogP2.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methoxy-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 171622151
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
ethane;2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(8-nitroisoquinolin-4-yl)amino]pyridine-3-carboxamide
CID 171622697
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030119
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117091054
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 171622667) is 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is COc1nccc(I)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZMLFJGDXHOOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN4O2/c1-22-9-11-23(12-10-22)14-5-3-13(4-6-14)21-17(24)16-15(19)7-8-20-18(16)25-2/h3-8H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 452.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 171622667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).