(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide

C16H16N4O — CID 56888255

IUPAC(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide
SMILESNC(=O)[C@H](Cc1ccccc1)Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C16H16N4O/c17-15(21)13(10-11-4-2-1-3-5-11)19-14-7-6-12-8-9-18-16(12)20-14/h1-9,13H,10H2,(H2,17,21)(H2,18,19,20)/t13-/m0/s1
InChIKeyJTHFPTTXGPUXGO-ZDUSSCGKSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds5

About (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide

(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide (PubChem CID 56888255) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide
PubChem CID56888255
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide
SMILESNC(=O)[C@H](Cc1ccccc1)Nc1ccc2cc[nH]c2n1
InChIInChI=1S/C16H16N4O/c17-15(21)13(10-11-4-2-1-3-5-11)19-14-7-6-12-8-9-18-16(12)20-14/h1-9,13H,10H2,(H2,17,21)(H2,18,19,20)/t13-/m0/s1
InChIKeyJTHFPTTXGPUXGO-ZDUSSCGKSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-3-(1H-indol-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanoate
CID 134974611
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]azanium
CID 7015206
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
CID 155662554

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide?
The IUPAC name of (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide (CID 56888255) is (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide.
What is the SMILES notation for (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide?
The canonical SMILES for (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide is NC(=O)[C@H](Cc1ccccc1)Nc1ccc2cc[nH]c2n1.
What is the InChIKey of (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide?
The InChIKey is JTHFPTTXGPUXGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15(21)13(10-11-4-2-1-3-5-11)19-14-7-6-12-8-9-18-16(12)20-14/h1-9,13H,10H2,(H2,17,21)(H2,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide?
(2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-6-ylamino)propanamide is sourced from PubChem (CID 56888255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).