N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

C21H20N4OS — CID 69102089

IUPACN-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESNCC(Cc1ccccc1)NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1
InChIInChI=1S/C21H20N4OS/c22-12-16(10-14-4-2-1-3-5-14)25-21(26)19-11-15(13-27-19)17-6-8-23-20-18(17)7-9-24-20/h1-9,11,13,16H,10,12,22H2,(H,23,24)(H,25,26)
InChIKeyPFYWAWLTACBLCF-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.59
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (PubChem CID 69102089) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
PubChem CID69102089
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
SMILESNCC(Cc1ccccc1)NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1
InChIInChI=1S/C21H20N4OS/c22-12-16(10-14-4-2-1-3-5-14)25-21(26)19-11-15(13-27-19)17-6-8-23-20-18(17)7-9-24-20/h1-9,11,13,16H,10,12,22H2,(H,23,24)(H,25,26)
InChIKeyPFYWAWLTACBLCF-UHFFFAOYSA-N
XLogP3.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
CID 24803465
N-[1-amino-3-(3,5-difluorophenyl)propan-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 69102357
N-(1-amino-4-phenylbutan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
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2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 75583226
N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
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N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[N-(1-amino-3-phenylpropan-2-yl)-C-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]carbonimidoyl]formamide
CID 143499361
N-(3-amino-1-phenylpropyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 24802788
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2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide (CID 69102089) is N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is NCC(Cc1ccccc1)NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
The InChIKey is PFYWAWLTACBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c22-12-16(10-14-4-2-1-3-5-14)25-21(26)19-11-15(13-27-19)17-6-8-23-20-18(17)7-9-24-20/h1-9,11,13,16H,10,12,22H2,(H,23,24)(H,25,26).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide?
N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 69102089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).