N-(4-iodo-2-pyridinyl)-3-methylbutanamide

C10H13IN2O — CID 170352197

IUPACN-(4-iodo-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(I)ccn1
InChIInChI=1S/C10H13IN2O/c1-7(2)5-10(14)13-9-6-8(11)3-4-12-9/h3-4,6-7H,5H2,1-2H3,(H,12,13,14)
InChIKeyWCMOICUWSANWGI-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.67
Rot. Bonds3

About N-(4-iodo-2-pyridinyl)-3-methylbutanamide

N-(4-iodo-2-pyridinyl)-3-methylbutanamide (PubChem CID 170352197) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is N-(4-iodo-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-iodo-2-pyridinyl)-3-methylbutanamide
PubChem CID170352197
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC NameN-(4-iodo-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc(I)ccn1
InChIInChI=1S/C10H13IN2O/c1-7(2)5-10(14)13-9-6-8(11)3-4-12-9/h3-4,6-7H,5H2,1-2H3,(H,12,13,14)
InChIKeyWCMOICUWSANWGI-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.67
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

3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
CID 170352373
2-[hydroxy-[(4-iodo-2-pyridinyl)amino]amino]-2-oxoacetic acid
CID 87664860
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
(4-iodo-2-pyridinyl)hydrazine
CID 53402897
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
(E)-3-[2-(3-methylpentanoylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822102
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methylbutanamide
CID 137350684

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of N-(4-iodo-2-pyridinyl)-3-methylbutanamide (CID 170352197) is N-(4-iodo-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-iodo-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for N-(4-iodo-2-pyridinyl)-3-methylbutanamide is CC(C)CC(=O)Nc1cc(I)ccn1.
What is the InChIKey of N-(4-iodo-2-pyridinyl)-3-methylbutanamide?
The InChIKey is WCMOICUWSANWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O/c1-7(2)5-10(14)13-9-6-8(11)3-4-12-9/h3-4,6-7H,5H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-iodo-2-pyridinyl)-3-methylbutanamide?
N-(4-iodo-2-pyridinyl)-3-methylbutanamide has a molecular weight of 304.13 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 170352197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).