4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide

C16H16ClIN4O — CID 21037636

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16ClIN4O/c17-14-2-1-7-19-15(14)21-8-10-22(11-9-21)16(23)20-13-5-3-12(18)4-6-13/h1-7H,8-11H2,(H,20,23)
InChIKeyOQKQGBVFOXQEHM-UHFFFAOYSA-N
MW442.69 g/mol
LogP3.69
Rot. Bonds2

About 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide (PubChem CID 21037636) has the molecular formula C16H16ClIN4O and a molecular weight of 442.69 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide
PubChem CID21037636
Molecular FormulaC16H16ClIN4O
Molecular Weight442.69 g/mol
Exact Mass442.01
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(I)cc1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C16H16ClIN4O/c17-14-2-1-7-19-15(14)21-8-10-22(11-9-21)16(23)20-13-5-3-12(18)4-6-13/h1-7H,8-11H2,(H,20,23)
InChIKeyOQKQGBVFOXQEHM-UHFFFAOYSA-N
XLogP3.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.69
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
1-(2-Chlorophenyl)-3-(pyridin-2-ylmethyl)urea
CID 894930
N-(3,4-dichlorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 1326396
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
1-(2-bromophenyl)-3-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]urea
CID 24768249

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide (CID 21037636) is 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(I)cc1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide?
The InChIKey is OQKQGBVFOXQEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN4O/c17-14-2-1-7-19-15(14)21-8-10-22(11-9-21)16(23)20-13-5-3-12(18)4-6-13/h1-7H,8-11H2,(H,20,23).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide has a molecular weight of 442.69 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 21037636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).