(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide

C17H18FN3O2 — CID 110347875

IUPAC(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C17H18FN3O2/c1-12(17(23)20-11-14-3-2-8-19-10-14)21-16(22)9-13-4-6-15(18)7-5-13/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyCYQOXVFPLIQRLF-LBPRGKRZSA-N
MW315.35 g/mol
LogP1.58
Rot. Bonds6

About (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110347875) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110347875
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESC[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NCc1cccnc1
InChIInChI=1S/C17H18FN3O2/c1-12(17(23)20-11-14-3-2-8-19-10-14)21-16(22)9-13-4-6-15(18)7-5-13/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeyCYQOXVFPLIQRLF-LBPRGKRZSA-N
XLogP1.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)butanamide
CID 25252601
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
2-(4-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 53281365
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41024865
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide (CID 110347875) is (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide is C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CYQOXVFPLIQRLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12(17(23)20-11-14-3-2-8-19-10-14)21-16(22)9-13-4-6-15(18)7-5-13/h2-8,10,12H,9,11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 315.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110347875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).