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

C19H17N3O2S — CID 46900403

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESNC(=O)C(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)
InChIKeyRIQDTIPATXJLMH-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.64
Rot. Bonds6

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

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 46900403) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID46900403
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide
SMILESNC(=O)C(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)
InChIKeyRIQDTIPATXJLMH-UHFFFAOYSA-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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Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
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Pyrrolopyridine, 13
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N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
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1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(4-methyl-2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280239
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280242
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(3-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280243
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methyl-2-thienyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280248
5-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182691
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
5-pyridin-2-yl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402005
N2-isopropyl-N5-[(3R)-3-[4-[methoxycarbamoyl(3-thienylmethyl)amino]-1-piperidyl]butyl]-4,6-dimethyl-pyridine-2,5-dicarboxamide
CID 59458228
N-[3-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 822274

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide (CID 46900403) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is RIQDTIPATXJLMH-UHFFFAOYSA-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).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide?
N-(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-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 46900403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).