N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide

C21H20N4O2 — CID 24803465

IUPACN-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
SMILESNCC(Cc1ccccc1)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)o1
InChIInChI=1S/C21H20N4O2/c22-13-15(12-14-4-2-1-3-5-14)25-21(26)19-7-6-18(27-19)16-8-10-23-20-17(16)9-11-24-20/h1-11,15H,12-13,22H2,(H,23,24)(H,25,26)
InChIKeySTIYQDNNEWKGLI-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.12
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide

N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide (PubChem CID 24803465) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
PubChem CID24803465
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
SMILESNCC(Cc1ccccc1)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)o1
InChIInChI=1S/C21H20N4O2/c22-13-15(12-14-4-2-1-3-5-14)25-21(26)19-7-6-18(27-19)16-8-10-23-20-17(16)9-11-24-20/h1-11,15H,12-13,22H2,(H,23,24)(H,25,26)
InChIKeySTIYQDNNEWKGLI-UHFFFAOYSA-N
XLogP3.12
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide
CID 70315373
N-(1-amino-3-phenylpropan-2-yl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
CID 69102089
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-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
2-N-methyl-3-[2-(trifluoromethyl)phenyl]propane-1,2-diamine;5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carbaldehyde
CID 143499337
N-[(2S)-1-amino-3-phenylpropan-2-yl]-3,5-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxamide
CID 25124568
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)thiophene-3-carboxamide
CID 75583226
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
N-(1-amino-3-phenylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 63753408
N-[(2S)-1-amino-3-phenylpropan-2-yl]-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-2-carboxamide
CID 24990354
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide (CID 24803465) is N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide is NCC(Cc1ccccc1)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)o1.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide?
The InChIKey is STIYQDNNEWKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-13-15(12-14-4-2-1-3-5-14)25-21(26)19-7-6-18(27-19)16-8-10-23-20-17(16)9-11-24-20/h1-11,15H,12-13,22H2,(H,23,24)(H,25,26).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide?
N-(1-amino-3-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.12, 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)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 24803465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).