2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide

C9H12FN3O2 — CID 107594933

IUPAC2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccncc1F
InChIInChI=1S/C9H12FN3O2/c1-15-5-7(11)9(14)13-8-2-3-12-4-6(8)10/h2-4,7H,5,11H2,1H3,(H,12,13,14)
InChIKeyTUPURUDURGNAPZ-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.13
Rot. Bonds4

About 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide

2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide (PubChem CID 107594933) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
PubChem CID107594933
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1ccncc1F
InChIInChI=1S/C9H12FN3O2/c1-15-5-7(11)9(14)13-8-2-3-12-4-6(8)10/h2-4,7H,5,11H2,1H3,(H,12,13,14)
InChIKeyTUPURUDURGNAPZ-UHFFFAOYSA-N
XLogP0.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-(4-methyl-3-pyridinyl)propanamide
CID 81089004
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
(2S)-N-(3-fluoro-4-pyridinyl)-2-methoxy-2-phenylacetamide
CID 124574279
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239
3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
CID 107595138
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
CID 107595018
ethyl 2-[(3-fluoro-4-pyridinyl)amino]-2-oxoacetate
CID 107595257
(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
CID 119868833
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107594967
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide (CID 107594933) is 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1ccncc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide?
The InChIKey is TUPURUDURGNAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-15-5-7(11)9(14)13-8-2-3-12-4-6(8)10/h2-4,7H,5,11H2,1H3,(H,12,13,14).
What are the key properties of 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide?
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide has a molecular weight of 213.21 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide is sourced from PubChem (CID 107594933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).