3-[(5-fluoro-3-pyridinyl)methylamino]propanamide

C9H12FN3O — CID 104953901

IUPAC3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
SMILESNC(=O)CCNCc1cncc(F)c1
InChIInChI=1S/C9H12FN3O/c10-8-3-7(5-13-6-8)4-12-2-1-9(11)14/h3,5-6,12H,1-2,4H2,(H2,11,14)
InChIKeyUUZRVOKKZMHPKQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.19
Rot. Bonds5

About 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide

3-[(5-fluoro-3-pyridinyl)methylamino]propanamide (PubChem CID 104953901) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
PubChem CID104953901
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-[(5-fluoro-3-pyridinyl)methylamino]propanamide
SMILESNC(=O)CCNCc1cncc(F)c1
InChIInChI=1S/C9H12FN3O/c10-8-3-7(5-13-6-8)4-12-2-1-9(11)14/h3,5-6,12H,1-2,4H2,(H2,11,14)
InChIKeyUUZRVOKKZMHPKQ-UHFFFAOYSA-N
XLogP0.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]acetamide
CID 104953358
N-[(5-fluoro-3-pyridinyl)methyl]-2-methylsulfinylethanamine
CID 104953724
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
3-[(3-fluoro-5-nitrophenyl)methylamino]propanamide
CID 112646669
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
3-(1,2-oxazol-4-ylmethylamino)propanamide
CID 60869054
N-[(5-fluoro-3-pyridinyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 104953835
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
N-[(5-fluoro-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527914
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide?
The IUPAC name of 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide (CID 104953901) is 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide.
What is the SMILES notation for 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide?
The canonical SMILES for 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide is NC(=O)CCNCc1cncc(F)c1.
What is the InChIKey of 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide?
The InChIKey is UUZRVOKKZMHPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-3-7(5-13-6-8)4-12-2-1-9(11)14/h3,5-6,12H,1-2,4H2,(H2,11,14).
What are the key properties of 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide?
3-[(5-fluoro-3-pyridinyl)methylamino]propanamide has a molecular weight of 197.21 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 104953901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).