N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

C20H18N4OS — CID 24805277

IUPACN-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1
InChIInChI=1S/C20H18N4OS/c21-11-16(13-5-2-1-3-6-13)24-20(25)18-9-8-17(26-18)15-12-23-19-14(15)7-4-10-22-19/h1-10,12,16H,11,21H2,(H,22,23)(H,24,25)
InChIKeyXGVJSYKODLTBGE-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.72
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide

N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 24805277) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
PubChem CID24805277
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1
InChIInChI=1S/C20H18N4OS/c21-11-16(13-5-2-1-3-6-13)24-20(25)18-9-8-17(26-18)15-12-23-19-14(15)7-4-10-22-19/h1-10,12,16H,11,21H2,(H,22,23)(H,24,25)
InChIKeyXGVJSYKODLTBGE-UHFFFAOYSA-N
XLogP3.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24803305
N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
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N-((S)-1-amino-3-(2-(trifluoromethyl)phenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
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N-((S)-1-amino-3-(3-(trifluoromethyl)phenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
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N-((S)-1-amino-3-(3-fluorophenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 44592504
N-((S)-1-amino-3-(4-fluorophenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 44592505
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CID 134277647
5-[2-(methylamino)-4-pyridinyl]-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
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US10100058, Example 108
CID 134539513

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide (CID 24805277) is N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide is NCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is XGVJSYKODLTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-11-16(13-5-2-1-3-6-13)24-20(25)18-9-8-17(26-18)15-12-23-19-14(15)7-4-10-22-19/h1-10,12,16H,11,21H2,(H,22,23)(H,24,25).
What are the key properties of N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24805277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).