N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide

C13H16N4O4 — CID 171557070

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1cnc2cc[nH]c2n1
InChIInChI=1S/C13H16N4O4/c18-9-2-4-21-10(11(9)19)6-16-13(20)8-5-15-7-1-3-14-12(7)17-8/h1,3,5,9-11,18-19H,2,4,6H2,(H,14,17)(H,16,20)
InChIKeyVADVZWUWNOZBMW-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.80
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide

N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide (PubChem CID 171557070) has the molecular formula C13H16N4O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
PubChem CID171557070
Molecular FormulaC13H16N4O4
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1cnc2cc[nH]c2n1
InChIInChI=1S/C13H16N4O4/c18-9-2-4-21-10(11(9)19)6-16-13(20)8-5-15-7-1-3-14-12(7)17-8/h1,3,5,9-11,18-19H,2,4,6H2,(H,14,17)(H,16,20)
InChIKeyVADVZWUWNOZBMW-UHFFFAOYSA-N
XLogP-0.80
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
CID 171556801
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557069
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557710
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 171557719
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide
CID 171557856
N-[(3,4-dihydroxyoxan-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171558339
[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]-(5H-pyrrolo[2,3-b]pyrazin-2-yl)methanone
CID 166294974
2-cyclopropyl-N-[(3R,4S)-3-hydroxyoxan-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755623
2-[[(3S,4R)-3-hydroxy-1-prop-2-enoylpiperidin-4-yl]amino]-N-[(2R)-3-methoxy-2-methylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 137386885
2-[[(3S,4R)-3-hydroxy-1-prop-2-enoylpiperidin-4-yl]amino]-N-[(2R)-1-methoxypropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 137387482
N-[1-hydroxy-1-(oxan-4-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 141364978
N-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)oxan-3-yl]-2-(methylamino)acetamide
CID 176321803

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide (CID 171557070) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide is O=C(NCC1OCCC(O)C1O)c1cnc2cc[nH]c2n1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
The InChIKey is VADVZWUWNOZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c18-9-2-4-21-10(11(9)19)6-16-13(20)8-5-15-7-1-3-14-12(7)17-8/h1,3,5,9-11,18-19H,2,4,6H2,(H,14,17)(H,16,20).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-3-carboxamide is sourced from PubChem (CID 171557070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).