4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C19H23IN4O — CID 21037658

IUPAC4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3I)CC2)cc1
InChIInChI=1S/C19H23IN4O/c1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyMNBBBZGMEAXPKC-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 21037658) has the molecular formula C19H23IN4O and a molecular weight of 450.32 g/mol. Its IUPAC name is 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID21037658
Molecular FormulaC19H23IN4O
Molecular Weight450.32 g/mol
Exact Mass450.09
IUPAC Name4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3I)CC2)cc1
InChIInChI=1S/C19H23IN4O/c1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyMNBBBZGMEAXPKC-UHFFFAOYSA-N
XLogP4.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 21037658) is 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3I)CC2)cc1.
What is the InChIKey of 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is MNBBBZGMEAXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN4O/c1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 450.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 21037658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).