4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C14H20N4O2 — CID 67278444

IUPAC4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC[C@H](C)[C@@H](CO)Nc1c(C(N)=O)cnc2[nH]ccc12
InChIInChI=1S/C14H20N4O2/c1-3-8(2)11(7-19)18-12-9-4-5-16-14(9)17-6-10(12)13(15)20/h4-6,8,11,19H,3,7H2,1-2H3,(H2,15,20)(H2,16,17,18)/t8-,11+/m0/s1
InChIKeyNHAXAIWASHJNNF-GZMMTYOYSA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds6

About 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67278444) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67278444
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC[C@H](C)[C@@H](CO)Nc1c(C(N)=O)cnc2[nH]ccc12
InChIInChI=1S/C14H20N4O2/c1-3-8(2)11(7-19)18-12-9-4-5-16-14(9)17-6-10(12)13(15)20/h4-6,8,11,19H,3,7H2,1-2H3,(H2,15,20)(H2,16,17,18)/t8-,11+/m0/s1
InChIKeyNHAXAIWASHJNNF-GZMMTYOYSA-N
XLogP1.48
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67278444) is 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CC[C@H](C)[C@@H](CO)Nc1c(C(N)=O)cnc2[nH]ccc12.
What is the InChIKey of 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is NHAXAIWASHJNNF-GZMMTYOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-8(2)11(7-19)18-12-9-4-5-16-14(9)17-6-10(12)13(15)20/h4-6,8,11,19H,3,7H2,1-2H3,(H2,15,20)(H2,16,17,18)/t8-,11+/m0/s1.
What are the key properties of 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67278444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).