N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide

C10H13FN2O — CID 171523645

IUPACN-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccncc1F
InChIInChI=1S/C10H13FN2O/c1-7(2)10(14)13-5-8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyUUWALUGNMCRKRD-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.49
Rot. Bonds3

About N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide

N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide (PubChem CID 171523645) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
PubChem CID171523645
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC NameN-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccncc1F
InChIInChI=1S/C10H13FN2O/c1-7(2)10(14)13-5-8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyUUWALUGNMCRKRD-UHFFFAOYSA-N
XLogP1.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
1-[1-[(3-fluoro-4-pyridinyl)methyl]pyrazol-4-yl]-2-methylpropan-1-one
CID 171593904
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide (CID 171523645) is N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide?
The InChIKey is UUWALUGNMCRKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(2)10(14)13-5-8-3-4-12-6-9(8)11/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide?
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide has a molecular weight of 196.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 171523645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).