methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate

C10H11IN2O3 — CID 103493160

IUPACmethyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
SMILESCOC(=O)C(I)CNC(=O)c1ccccn1
InChIInChI=1S/C10H11IN2O3/c1-16-10(15)7(11)6-13-9(14)8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyFOIIYBOWUHQMSX-UHFFFAOYSA-N
MW334.11 g/mol
LogP0.79
Rot. Bonds4

About methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate

methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate (PubChem CID 103493160) has the molecular formula C10H11IN2O3 and a molecular weight of 334.11 g/mol. Its IUPAC name is methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
PubChem CID103493160
Molecular FormulaC10H11IN2O3
Molecular Weight334.11 g/mol
Exact Mass333.98
IUPAC Namemethyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
SMILESCOC(=O)C(I)CNC(=O)c1ccccn1
InChIInChI=1S/C10H11IN2O3/c1-16-10(15)7(11)6-13-9(14)8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyFOIIYBOWUHQMSX-UHFFFAOYSA-N
XLogP0.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 103152963
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
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CID 9302014
N-(2-cyanopropyl)pyridine-2-carboxamide
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N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
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N-[(2S)-2-(ethylamino)-3-oxopentyl]pyridine-2-carboxamide
CID 162019589
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate?
The IUPAC name of methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate (CID 103493160) is methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate?
The canonical SMILES for methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate is COC(=O)C(I)CNC(=O)c1ccccn1.
What is the InChIKey of methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate?
The InChIKey is FOIIYBOWUHQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O3/c1-16-10(15)7(11)6-13-9(14)8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate?
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate has a molecular weight of 334.11 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate is sourced from PubChem (CID 103493160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).