N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide

C19H17N3O2S — CID 54669862

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)/t16-/m0/s1
InChIKeyRIQDTIPATXJLMH-INIZCTEOSA-N
MW351.43 g/mol
LogP2.64
Rot. Bonds6

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 54669862) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID54669862
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1
InChIInChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)/t16-/m0/s1
InChIKeyRIQDTIPATXJLMH-INIZCTEOSA-N
XLogP2.64
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide (CID 54669862) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is RIQDTIPATXJLMH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 54669862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).