3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide

C14H14N4O2 — CID 94066552

IUPAC3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C14H14N4O2/c15-13-12(16-5-6-17-13)14(19)18-10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2,(H2,15,17)(H,18,19)/t10-/m0/s1
InChIKeyVUMDPSNXPYSBBP-JTQLQIEISA-N
MW270.29 g/mol
LogP0.79
Rot. Bonds2

About 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide

3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide (PubChem CID 94066552) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
PubChem CID94066552
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)N[C@@H]1COc2ccccc2C1
InChIInChI=1S/C14H14N4O2/c15-13-12(16-5-6-17-13)14(19)18-10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2,(H2,15,17)(H,18,19)/t10-/m0/s1
InChIKeyVUMDPSNXPYSBBP-JTQLQIEISA-N
XLogP0.79
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
3-amino-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazine-2-carboxamide;formic acid
CID 10267750
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
N-(3,4-dihydro-2H-chromen-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 86286458
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
2-(5-amino-2-pyridinyl)-N-(3,4-dihydro-2H-chromen-3-yl)acetamide;hydrochloride
CID 120623696
2-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-5-nitrobenzamide
CID 99785349
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide (CID 94066552) is 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)N[C@@H]1COc2ccccc2C1.
What is the InChIKey of 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide?
The InChIKey is VUMDPSNXPYSBBP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O2/c15-13-12(16-5-6-17-13)14(19)18-10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2,(H2,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide?
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 94066552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).