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

C20H18N4OS — CID 24805275

IUPACN-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1
InChIInChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)
InChIKeyZNBOMXQVNVLXCZ-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.72
Rot. Bonds5

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

N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 24805275) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
PubChem CID24805275
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide
SMILESNCC(NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1
InChIInChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25)
InChIKeyZNBOMXQVNVLXCZ-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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide (CID 24805275) is N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide is NCC(NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
The InChIKey is ZNBOMXQVNVLXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c21-10-17(13-5-2-1-3-6-13)24-20(25)18-9-14(12-26-18)16-11-23-19-15(16)7-4-8-22-19/h1-9,11-12,17H,10,21H2,(H,22,23)(H,24,25).
What are the key properties of N-(2-amino-1-phenylethyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide?
N-(2-amino-1-phenylethyl)-4-(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)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24805275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).