N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide

C16H17IN2O — CID 21216437

IUPACN-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide
SMILESCc1cc(I)cnc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17IN2O/c1-10(2)12-4-6-13(7-5-12)16(20)19-15-11(3)8-14(17)9-18-15/h4-10H,1-3H3,(H,18,19,20)
InChIKeyJZTSHKSMSMEUCM-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.37
Rot. Bonds3

About N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide

N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide (PubChem CID 21216437) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide
PubChem CID21216437
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide
SMILESCc1cc(I)cnc1NC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H17IN2O/c1-10(2)12-4-6-13(7-5-12)16(20)19-15-11(3)8-14(17)9-18-15/h4-10H,1-3H3,(H,18,19,20)
InChIKeyJZTSHKSMSMEUCM-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
CID 21216463
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
CID 126993024
N-(5-amino-3-methyl-2-pyridinyl)-4-hydroxybenzamide
CID 112555394
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-(5-amino-3-methyl-2-pyridinyl)-3-iodobenzamide
CID 112555248
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
N-(2,6-dichloro-4-methyl-3-pyridinyl)-4-propan-2-ylbenzamide
CID 103738285
N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
CID 110867247
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide (CID 21216437) is N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide is Cc1cc(I)cnc1NC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide?
The InChIKey is JZTSHKSMSMEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-10(2)12-4-6-13(7-5-12)16(20)19-15-11(3)8-14(17)9-18-15/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide?
N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide has a molecular weight of 380.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-3-methyl-2-pyridinyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 21216437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).