3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide

C12H14N4O2 — CID 94022829

IUPAC3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1nccnc1N
InChIInChI=1S/C12H14N4O2/c1-8(7-9-3-2-6-18-9)16-12(17)10-11(13)15-5-4-14-10/h2-6,8H,7H2,1H3,(H2,13,15)(H,16,17)/t8-/m0/s1
InChIKeyGLQCJQWAXYHJDR-QMMMGPOBSA-N
MW246.27 g/mol
LogP1.01
Rot. Bonds4

About 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide

3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide (PubChem CID 94022829) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
PubChem CID94022829
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1nccnc1N
InChIInChI=1S/C12H14N4O2/c1-8(7-9-3-2-6-18-9)16-12(17)10-11(13)15-5-4-14-10/h2-6,8H,7H2,1H3,(H2,13,15)(H,16,17)/t8-/m0/s1
InChIKeyGLQCJQWAXYHJDR-QMMMGPOBSA-N
XLogP1.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
CID 32652897
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
N-[1-(furan-2-yl)propan-2-yl]-4-hydrazinylpyridine-3-carboxamide
CID 81256734
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
3-amino-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide
CID 42940326

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide (CID 94022829) is 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide is C[C@@H](Cc1ccco1)NC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide?
The InChIKey is GLQCJQWAXYHJDR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(7-9-3-2-6-18-9)16-12(17)10-11(13)15-5-4-14-10/h2-6,8H,7H2,1H3,(H2,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide?
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 94022829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).