N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H18N6O2 — CID 73296111

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12
InChIInChI=1S/C16H18N6O2/c1-16(2,9-23)22-15(24)11-7-18-14-13(11)21-12(8-19-14)20-10-4-3-5-17-6-10/h3-8,23H,9H2,1-2H3,(H,18,19)(H,20,21)(H,22,24)
InChIKeySTUYEBWPURSWQG-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.60
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73296111) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73296111
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CO)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12
InChIInChI=1S/C16H18N6O2/c1-16(2,9-23)22-15(24)11-7-18-14-13(11)21-12(8-19-14)20-10-4-3-5-17-6-10/h3-8,23H,9H2,1-2H3,(H,18,19)(H,20,21)(H,22,24)
InChIKeySTUYEBWPURSWQG-UHFFFAOYSA-N
XLogP1.60
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73296111) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CO)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is STUYEBWPURSWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-16(2,9-23)22-15(24)11-7-18-14-13(11)21-12(8-19-14)20-10-4-3-5-17-6-10/h3-8,23H,9H2,1-2H3,(H,18,19)(H,20,21)(H,22,24).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73296111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).