5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide

C12H17IN2O2 — CID 97327743

IUPAC5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1cncc(I)c1)C(C)C
InChIInChI=1S/C12H17IN2O2/c1-8(2)11(7-17-3)15-12(16)9-4-10(13)6-14-5-9/h4-6,8,11H,7H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyWYYOFTFJJKOCOM-LLVKDONJSA-N
MW348.18 g/mol
LogP2.09
Rot. Bonds5

About 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide

5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 97327743) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide
PubChem CID97327743
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC Name5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide
SMILESCOC[C@@H](NC(=O)c1cncc(I)c1)C(C)C
InChIInChI=1S/C12H17IN2O2/c1-8(2)11(7-17-3)15-12(16)9-4-10(13)6-14-5-9/h4-6,8,11H,7H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyWYYOFTFJJKOCOM-LLVKDONJSA-N
XLogP2.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 52.09
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-(1-ethoxy-3-methylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 103282636
N-(1-iodo-3-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 107859937
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
CID 65052981
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627
4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223169
N-(1-hydroxy-3-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922170
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923860

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide (CID 97327743) is 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide is COC[C@@H](NC(=O)c1cncc(I)c1)C(C)C.
What is the InChIKey of 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is WYYOFTFJJKOCOM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17IN2O2/c1-8(2)11(7-17-3)15-12(16)9-4-10(13)6-14-5-9/h4-6,8,11H,7H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide?
5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 348.18 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(2S)-1-methoxy-3-methylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97327743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).