3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid

C16H18N4O3 — CID 10267750

IUPAC3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid
SMILESNc1nccnc1C(=O)N[C@H]1CCc2ccccc2C1.O=CO
InChIInChI=1S/C15H16N4O.CH2O2/c16-14-13(17-7-8-18-14)15(20)19-12-6-5-10-3-1-2-4-11(10)9-12;2-1-3/h1-4,7-8,12H,5-6,9H2,(H2,16,18)(H,19,20);1H,(H,2,3)/t12-;/m0./s1
InChIKeyPPPGKOZWVRMPGB-YDALLXLXSA-N
MW314.35 g/mol
LogP1.05
Rot. Bonds2

About 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid

3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid (PubChem CID 10267750) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid.

Molecular Properties

Compound Name3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid
PubChem CID10267750
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid
SMILESNc1nccnc1C(=O)N[C@H]1CCc2ccccc2C1.O=CO
InChIInChI=1S/C15H16N4O.CH2O2/c16-14-13(17-7-8-18-14)15(20)19-12-6-5-10-3-1-2-4-11(10)9-12;2-1-3/h1-4,7-8,12H,5-6,9H2,(H2,16,18)(H,19,20);1H,(H,2,3)/t12-;/m0./s1
InChIKeyPPPGKOZWVRMPGB-YDALLXLXSA-N
XLogP1.05
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid?
The IUPAC name of 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid (CID 10267750) is 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid.
What is the SMILES notation for 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid?
The canonical SMILES for 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid is Nc1nccnc1C(=O)N[C@H]1CCc2ccccc2C1.O=CO.
What is the InChIKey of 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid?
The InChIKey is PPPGKOZWVRMPGB-YDALLXLXSA-N. The full InChI is InChI=1S/C15H16N4O.CH2O2/c16-14-13(17-7-8-18-14)15(20)19-12-6-5-10-3-1-2-4-11(10)9-12;2-1-3/h1-4,7-8,12H,5-6,9H2,(H2,16,18)(H,19,20);1H,(H,2,3)/t12-;/m0./s1.
What are the key properties of 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid?
3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid has a molecular weight of 314.35 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid is sourced from PubChem (CID 10267750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).