(2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide

C17H18FN3O3 — CID 95217473

IUPAC(2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide
SMILESCc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)COc1cccnc1
InChIInChI=1S/C17H18FN3O3/c1-11-8-13(18)5-6-15(11)21-17(23)12(2)20-16(22)10-24-14-4-3-7-19-9-14/h3-9,12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyTUKQQRXURNFLFT-LBPRGKRZSA-N
MW331.35 g/mol
LogP2.05
Rot. Bonds6

About (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide

(2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide (PubChem CID 95217473) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide
PubChem CID95217473
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide
SMILESCc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)COc1cccnc1
InChIInChI=1S/C17H18FN3O3/c1-11-8-13(18)5-6-15(11)21-17(23)12(2)20-16(22)10-24-14-4-3-7-19-9-14/h3-9,12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyTUKQQRXURNFLFT-LBPRGKRZSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide?
The IUPAC name of (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide (CID 95217473) is (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide is Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)COc1cccnc1.
What is the InChIKey of (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide?
The InChIKey is TUKQQRXURNFLFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-8-13(18)5-6-15(11)21-17(23)12(2)20-16(22)10-24-14-4-3-7-19-9-14/h3-9,12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide?
(2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide has a molecular weight of 331.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluoro-2-methylphenyl)-2-[(2-pyridin-3-yloxyacetyl)amino]propanamide is sourced from PubChem (CID 95217473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).