3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide

C15H16N4OS — CID 56785863

IUPAC3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C15H16N4OS/c16-13-12(17-8-9-18-13)14(20)19-10-15(6-7-15)21-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,18)(H,19,20)
InChIKeyRAOMKLNEDBHDDD-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.11
Rot. Bonds5

About 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide

3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide (PubChem CID 56785863) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide
PubChem CID56785863
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C15H16N4OS/c16-13-12(17-8-9-18-13)14(20)19-10-15(6-7-15)21-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,18)(H,19,20)
InChIKeyRAOMKLNEDBHDDD-UHFFFAOYSA-N
XLogP2.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-phenylsulfanylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685576
N-[(1-phenylsulfanylcyclopropyl)methyl]-2H-triazole-4-carboxamide
CID 56785490
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 89126639

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide (CID 56785863) is 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC1(Sc2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide?
The InChIKey is RAOMKLNEDBHDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-13-12(17-8-9-18-13)14(20)19-10-15(6-7-15)21-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,18)(H,19,20).
What are the key properties of 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide?
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56785863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).