2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide

C12H16IN3O — CID 75438366

IUPAC2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(I)cn1)C1CC1
InChIInChI=1S/C12H16IN3O/c1-2-16(10-4-5-10)8-12(17)15-11-6-3-9(13)7-14-11/h3,6-7,10H,2,4-5,8H2,1H3,(H,14,15,17)
InChIKeyHOUBKCGIRUXVIW-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.11
Rot. Bonds5

About 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide

2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide (PubChem CID 75438366) has the molecular formula C12H16IN3O and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide
PubChem CID75438366
Molecular FormulaC12H16IN3O
Molecular Weight345.18 g/mol
Exact Mass345.03
IUPAC Name2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(I)cn1)C1CC1
InChIInChI=1S/C12H16IN3O/c1-2-16(10-4-5-10)8-12(17)15-11-6-3-9(13)7-14-11/h3,6-7,10H,2,4-5,8H2,1H3,(H,14,15,17)
InChIKeyHOUBKCGIRUXVIW-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.11
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-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510517
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990
3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
CID 79153850
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide
CID 65098654
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65098597
N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102676743
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide (CID 75438366) is 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide is CCN(CC(=O)Nc1ccc(I)cn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide?
The InChIKey is HOUBKCGIRUXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O/c1-2-16(10-4-5-10)8-12(17)15-11-6-3-9(13)7-14-11/h3,6-7,10H,2,4-5,8H2,1H3,(H,14,15,17).
What are the key properties of 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide?
2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide has a molecular weight of 345.18 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide is sourced from PubChem (CID 75438366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).