3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide

C15H16N4O2 — CID 119126287

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C15H16N4O2/c16-14-13(17-6-7-18-14)15(20)19-9-10-5-8-21-12-4-2-1-3-11(10)12/h1-4,6-7,10H,5,8-9H2,(H2,16,18)(H,19,20)
InChIKeyJTJKRZFUNIOWAQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.35
Rot. Bonds3

About 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide

3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 119126287) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID119126287
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C15H16N4O2/c16-14-13(17-6-7-18-14)15(20)19-9-10-5-8-21-12-4-2-1-3-11(10)12/h1-4,6-7,10H,5,8-9H2,(H2,16,18)(H,19,20)
InChIKeyJTJKRZFUNIOWAQ-UHFFFAOYSA-N
XLogP1.35
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 136515525
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
CID 129399359
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide (CID 119126287) is 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC1CCOc2ccccc21.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is JTJKRZFUNIOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-14-13(17-6-7-18-14)15(20)19-9-10-5-8-21-12-4-2-1-3-11(10)12/h1-4,6-7,10H,5,8-9H2,(H2,16,18)(H,19,20).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide?
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 119126287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).