(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide

C11H16FN3O — CID 104893705

IUPAC(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H16FN3O/c1-3-7(2)10(13)11(16)15-9-6-4-5-8(12)14-9/h4-7,10H,3,13H2,1-2H3,(H,14,15,16)/t7-,10-/m0/s1
InChIKeyCBEHDJSPLVFOBJ-XVKPBYJWSA-N
MW225.27 g/mol
LogP1.53
Rot. Bonds4

About (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide (PubChem CID 104893705) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
PubChem CID104893705
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccc(F)n1
InChIInChI=1S/C11H16FN3O/c1-3-7(2)10(13)11(16)15-9-6-4-5-8(12)14-9/h4-7,10H,3,13H2,1-2H3,(H,14,15,16)/t7-,10-/m0/s1
InChIKeyCBEHDJSPLVFOBJ-XVKPBYJWSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813269
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
ethyl N-(6-fluoro-2-pyridinyl)carbamate
CID 45119575
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
3-(aminomethyl)-N-(6-fluoro-2-pyridinyl)-5-methylhexanamide
CID 116813224
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide (CID 104893705) is (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cccc(F)n1.
What is the InChIKey of (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide?
The InChIKey is CBEHDJSPLVFOBJ-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-7(2)10(13)11(16)15-9-6-4-5-8(12)14-9/h4-7,10H,3,13H2,1-2H3,(H,14,15,16)/t7-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide has a molecular weight of 225.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide is sourced from PubChem (CID 104893705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).