N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C20H20N4O2 — CID 95286983

IUPACN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C20H20N4O2/c25-19(16-12-22-18-15(16)7-4-10-21-18)24-17(20(26)23-14-8-9-14)11-13-5-2-1-3-6-13/h1-7,10,12,14,17H,8-9,11H2,(H,21,22)(H,23,26)(H,24,25)/t17-/m1/s1
InChIKeyXBRIUWJNRHXGRD-QGZVFWFLSA-N
MW348.41 g/mol
LogP2.18
Rot. Bonds6

About N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 95286983) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID95286983
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1c[nH]c2ncccc12
InChIInChI=1S/C20H20N4O2/c25-19(16-12-22-18-15(16)7-4-10-21-18)24-17(20(26)23-14-8-9-14)11-13-5-2-1-3-6-13/h1-7,10,12,14,17H,8-9,11H2,(H,21,22)(H,23,26)(H,24,25)/t17-/m1/s1
InChIKeyXBRIUWJNRHXGRD-QGZVFWFLSA-N
XLogP2.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 95767230
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-indazole-4-carboxamide
CID 95302082
(2S)-4-methyl-2-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)pentanoic acid
CID 119360770
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 67673627
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95289681
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 95286983) is N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is XBRIUWJNRHXGRD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(16-12-22-18-15(16)7-4-10-21-18)24-17(20(26)23-14-8-9-14)11-13-5-2-1-3-6-13/h1-7,10,12,14,17H,8-9,11H2,(H,21,22)(H,23,26)(H,24,25)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 95286983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).